(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride

C30H34Cl2N2 — CID 68913855

IUPAC(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
SMILESC[C@@H](NC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C30H32N2.2ClH/c1-23(28-18-10-16-25-15-8-9-17-29(25)28)31-19-27-21-32(20-24-11-4-2-5-12-24)22-30(27)26-13-6-3-7-14-26;;/h2-18,23,27,30-31H,19-22H2,1H3;2*1H/t23-,27+,30-;;/m1../s1
InChIKeyNVGXNAPMRCPYSN-FBGDVXAZSA-N
MW493.52 g/mol
LogP7.25
Rot. Bonds7

About (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride

(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride (PubChem CID 68913855) has the molecular formula C30H34Cl2N2 and a molecular weight of 493.52 g/mol. Its IUPAC name is (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride.

Molecular Properties

Compound Name(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
PubChem CID68913855
Molecular FormulaC30H34Cl2N2
Molecular Weight493.52 g/mol
Exact Mass492.21
IUPAC Name(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
SMILESC[C@@H](NC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1cccc2ccccc12.Cl.Cl
InChIInChI=1S/C30H32N2.2ClH/c1-23(28-18-10-16-25-15-8-9-17-29(25)28)31-19-27-21-32(20-24-11-4-2-5-12-24)22-30(27)26-13-6-3-7-14-26;;/h2-18,23,27,30-31H,19-22H2,1H3;2*1H/t23-,27+,30-;;/m1../s1
InChIKeyNVGXNAPMRCPYSN-FBGDVXAZSA-N
XLogP7.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.52
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride with MolForge

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Related Compounds

(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 68913856
6-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidin-1-yl]hexanoic acid
CID 68912107
(1R)-N-[[1-[(2-chlorophenyl)methyl]-4-phenylpiperidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 59178527
(1R)-N-[(1-methylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 68915998
(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 68913794
5-[[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]methyl]furan-2-carboxylic acid
CID 59178665
4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoic acid;hydrochloride
CID 66906017
(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 68916013
2-[4-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]phenoxy]acetic acid;hydrochloride
CID 68910452
4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidin-1-yl]benzoic acid;hydrochloride
CID 162324135
2,2-dimethyl-3-[(3R,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]oxypropanoic acid;hydrochloride
CID 68916594
(1R)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;(E)-but-2-enedioic acid
CID 68910564

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride?
The IUPAC name of (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride (CID 68913855) is (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride.
What is the SMILES notation for (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride?
The canonical SMILES for (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride is C[C@@H](NC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1cccc2ccccc12.Cl.Cl.
What is the InChIKey of (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride?
The InChIKey is NVGXNAPMRCPYSN-FBGDVXAZSA-N. The full InChI is InChI=1S/C30H32N2.2ClH/c1-23(28-18-10-16-25-15-8-9-17-29(25)28)31-19-27-21-32(20-24-11-4-2-5-12-24)22-30(27)26-13-6-3-7-14-26;;/h2-18,23,27,30-31H,19-22H2,1H3;2*1H/t23-,27+,30-;;/m1../s1.
What are the key properties of (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride?
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride has a molecular weight of 493.52 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride is sourced from PubChem (CID 68913855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).