(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine

C25H28N2O — CID 142698472

IUPAC(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C25H28N2O/c1-28-25-13-9-21(10-14-25)18-27-16-15-24(19-27)26-17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-14,24,26H,15-19H2,1H3/t24-/m0/s1
InChIKeyZSUKPLWGTMWLBW-DEOSSOPVSA-N
MW372.51 g/mol
LogP4.73
Rot. Bonds7

About (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine

(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 142698472) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
PubChem CID142698472
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4)cc3)C2)cc1
InChIInChI=1S/C25H28N2O/c1-28-25-13-9-21(10-14-25)18-27-16-15-24(19-27)26-17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-14,24,26H,15-19H2,1H3/t24-/m0/s1
InChIKeyZSUKPLWGTMWLBW-DEOSSOPVSA-N
XLogP4.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
1-benzyl-N-[2-(2-iodo-5-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 68999578
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine (CID 142698472) is (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine is COc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4)cc3)C2)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is ZSUKPLWGTMWLBW-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N2O/c1-28-25-13-9-21(10-14-25)18-27-16-15-24(19-27)26-17-20-7-11-23(12-8-20)22-5-3-2-4-6-22/h2-14,24,26H,15-19H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine?
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 372.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 142698472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).