1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

C18H23N3 — CID 56827336

IUPAC1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCC(c1ccccc1)N1CCC(NCc2cccnc2)C1
InChIInChI=1S/C18H23N3/c1-15(17-7-3-2-4-8-17)21-11-9-18(14-21)20-13-16-6-5-10-19-12-16/h2-8,10,12,15,18,20H,9,11,13-14H2,1H3
InChIKeyLREUFWQPTRHVSA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.01
Rot. Bonds5

About 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 56827336) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
PubChem CID56827336
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCC(c1ccccc1)N1CCC(NCc2cccnc2)C1
InChIInChI=1S/C18H23N3/c1-15(17-7-3-2-4-8-17)21-11-9-18(14-21)20-13-16-6-5-10-19-12-16/h2-8,10,12,15,18,20H,9,11,13-14H2,1H3
InChIKeyLREUFWQPTRHVSA-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
(3S)-1-[(1S)-1-phenylethyl]-N-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-amine
CID 95598751
(3S)-1-[(1S)-1-phenylethyl]-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 95789191
N-benzyl-3-[[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]amino]propanamide
CID 95972242
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
(1S)-1-(4-methylphenyl)-2-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]ethanol
CID 98848116
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
2-methyl-1-phenyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 43225601

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (CID 56827336) is 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is CC(c1ccccc1)N1CCC(NCc2cccnc2)C1.
What is the InChIKey of 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is LREUFWQPTRHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(17-7-3-2-4-8-17)21-11-9-18(14-21)20-13-16-6-5-10-19-12-16/h2-8,10,12,15,18,20H,9,11,13-14H2,1H3.
What are the key properties of 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 56827336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).