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

C18H23N3 — CID 78979013

IUPAC(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccccc1N1CCCC1)c1ccccn1
InChIInChI=1S/C18H23N3/c1-15(17-9-4-5-11-19-17)20-14-16-8-2-3-10-18(16)21-12-6-7-13-21/h2-5,8-11,15,20H,6-7,12-14H2,1H3/t15-/m0/s1
InChIKeyRUDOSTGXOPXZMU-HNNXBMFYSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds5

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

(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 78979013) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID78979013
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@H](NCc1ccccc1N1CCCC1)c1ccccn1
InChIInChI=1S/C18H23N3/c1-15(17-9-4-5-11-19-17)20-14-16-8-2-3-10-18(16)21-12-6-7-13-21/h2-5,8-11,15,20H,6-7,12-14H2,1H3/t15-/m0/s1
InChIKeyRUDOSTGXOPXZMU-HNNXBMFYSA-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
(1R)-1-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78978897
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401879
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
(1R)-N-[(2-phenylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 69062118
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 78979013) is (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is C[C@H](NCc1ccccc1N1CCCC1)c1ccccn1.
What is the InChIKey of (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is RUDOSTGXOPXZMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(17-9-4-5-11-19-17)20-14-16-8-2-3-10-18(16)21-12-6-7-13-21/h2-5,8-11,15,20H,6-7,12-14H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine?
(1S)-1-pyridin-2-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 (1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 78979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).