(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine

C23H26N2 — CID 68916013

IUPAC(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CNCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2/c1-17(21-13-7-11-18-10-5-6-12-22(18)21)25-15-20-14-24-16-23(20)19-8-3-2-4-9-19/h2-13,17,20,23-25H,14-16H2,1H3/t17-,20?,23?/m1/s1
InChIKeySJMFSILUSGBLJH-WMAFBANVSA-N
MW330.48 g/mol
LogP4.49
Rot. Bonds5

About (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine

(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 68916013) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID68916013
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine
SMILESC[C@@H](NCC1CNCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H26N2/c1-17(21-13-7-11-18-10-5-6-12-22(18)21)25-15-20-14-24-16-23(20)19-8-3-2-4-9-19/h2-13,17,20,23-25H,14-16H2,1H3/t17-,20?,23?/m1/s1
InChIKeySJMFSILUSGBLJH-WMAFBANVSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carboxylic acid
CID 68913794
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine
CID 68913856
(1R)-N-[[(3S,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;dihydrochloride
CID 68913855
(1R)-N-[(1-methylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 68915998
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
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
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carboxylic acid
CID 59178591
4-[4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3-phenylpiperidine-1-carbonyl]benzoic acid;hydrochloride
CID 66906017
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine (CID 68916013) is (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine is C[C@@H](NCC1CNCC1c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is SJMFSILUSGBLJH-WMAFBANVSA-N. The full InChI is InChI=1S/C23H26N2/c1-17(21-13-7-11-18-10-5-6-12-22(18)21)25-15-20-14-24-16-23(20)19-8-3-2-4-9-19/h2-13,17,20,23-25H,14-16H2,1H3/t17-,20?,23?/m1/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine?
(1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 330.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-N-[(4-phenylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 68916013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).