(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

C18H23N3 — CID 78978897

IUPAC(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1N1CCCC1)c1cccnc1
InChIInChI=1S/C18H23N3/c1-15(16-8-6-10-19-13-16)20-14-17-7-2-3-9-18(17)21-11-4-5-12-21/h2-3,6-10,13,15,20H,4-5,11-12,14H2,1H3/t15-/m1/s1
InChIKeyNIFWECSPWBFMIW-OAHLLOKOSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds5

About (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine

(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 78978897) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID78978897
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1N1CCCC1)c1cccnc1
InChIInChI=1S/C18H23N3/c1-15(16-8-6-10-19-13-16)20-14-17-7-2-3-9-18(17)21-11-4-5-12-21/h2-3,6-10,13,15,20H,4-5,11-12,14H2,1H3/t15-/m1/s1
InChIKeyNIFWECSPWBFMIW-OAHLLOKOSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
2-methyl-6-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 112553988
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063

Frequently Asked Questions

What is the IUPAC name of (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 78978897) is (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is C[C@@H](NCc1ccccc1N1CCCC1)c1cccnc1.
What is the InChIKey of (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is NIFWECSPWBFMIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(16-8-6-10-19-13-16)20-14-17-7-2-3-9-18(17)21-11-4-5-12-21/h2-3,6-10,13,15,20H,4-5,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 78978897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).