[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol

C18H20N2O — CID 86787519

IUPAC[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](NC(c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C18H20N2O/c21-13-14-9-10-16(12-14)20-18(15-6-2-1-3-7-15)17-8-4-5-11-19-17/h1-11,14,16,18,20-21H,12-13H2/t14-,16+,18?/m0/s1
InChIKeyRTTLJPWWXFCXAC-QJZXMCBYSA-N
MW280.37 g/mol
LogP2.70
Rot. Bonds5

About [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol

[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol (PubChem CID 86787519) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
PubChem CID86787519
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol
SMILESOC[C@H]1C=C[C@@H](NC(c2ccccc2)c2ccccn2)C1
InChIInChI=1S/C18H20N2O/c21-13-14-9-10-16(12-14)20-18(15-6-2-1-3-7-15)17-8-4-5-11-19-17/h1-11,14,16,18,20-21H,12-13H2/t14-,16+,18?/m0/s1
InChIKeyRTTLJPWWXFCXAC-QJZXMCBYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[phenyl(pyridin-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714310
3-ethyl-N-[phenyl(pyridin-2-yl)methyl]pentan-2-amine
CID 63842105
trans-(1R,3R)-3-N,3-N-dimethyl-1-N-[(R)-phenyl(pyridin-2-yl)methyl]cyclopentane-1,3-diamine
CID 129446491
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
(2R)-3-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]butan-1-ol
CID 68622948
[(1R,4S)-4-[[3-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrazin-2-yl]amino]cyclopent-2-en-1-yl]methanol
CID 126807222
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
N-[(2,2-dimethylcyclopropyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 103949198
2-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 60921142
methyl (3R)-3-[[(S)-phenyl(pyridin-2-yl)methyl]amino]pyrrolidine-1-carboxylate
CID 99781986
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
1-phenyl-1-pyridin-2-yl-N-(thian-4-ylmethyl)methanamine
CID 115971963

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol (CID 86787519) is [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol is OC[C@H]1C=C[C@@H](NC(c2ccccc2)c2ccccn2)C1.
What is the InChIKey of [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
The InChIKey is RTTLJPWWXFCXAC-QJZXMCBYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-13-14-9-10-16(12-14)20-18(15-6-2-1-3-7-15)17-8-4-5-11-19-17/h1-11,14,16,18,20-21H,12-13H2/t14-,16+,18?/m0/s1.
What are the key properties of [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[phenyl(pyridin-2-yl)methyl]amino]cyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 86787519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).