1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine

C20H27N3 — CID 136551934

IUPAC1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
SMILESCCCC(NCc1cccnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-9-19(17-10-4-3-5-11-17)22-16-18-12-8-13-21-20(18)23-14-6-7-15-23/h3-5,8,10-13,19,22H,2,6-7,9,14-16H2,1H3
InChIKeyAANMYTZTDCFZKI-UHFFFAOYSA-N
MW309.46 g/mol
LogP4.31
Rot. Bonds7

About 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine

1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine (PubChem CID 136551934) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
PubChem CID136551934
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine
SMILESCCCC(NCc1cccnc1N1CCCC1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-9-19(17-10-4-3-5-11-17)22-16-18-12-8-13-21-20(18)23-14-6-7-15-23/h3-5,8,10-13,19,22H,2,6-7,9,14-16H2,1H3
InChIKeyAANMYTZTDCFZKI-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419
1-phenyl-N-(pyridin-4-ylmethyl)butan-1-amine;hydrochloride
CID 17155648
(1S)-1-(furan-3-yl)-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentan-1-amine
CID 100705133
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
N-[[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287310
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
N-methyl-1-[2-(1,4-thiazepan-4-yl)-3-pyridinyl]methanamine
CID 62287128
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine (CID 136551934) is 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine is CCCC(NCc1cccnc1N1CCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine?
The InChIKey is AANMYTZTDCFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-9-19(17-10-4-3-5-11-17)22-16-18-12-8-13-21-20(18)23-14-6-7-15-23/h3-5,8,10-13,19,22H,2,6-7,9,14-16H2,1H3.
What are the key properties of 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine?
1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine has a molecular weight of 309.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 136551934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).