N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C16H17ClN2 — CID 102774056

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC[C@H](NC1CCc2cccnc21)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c1-11(13-6-2-3-7-14(13)17)19-15-9-8-12-5-4-10-18-16(12)15/h2-7,10-11,15,19H,8-9H2,1H3/t11-,15?/m0/s1
InChIKeyXWIJCCMWFXEOBX-VPHXOMNUSA-N
MW272.78 g/mol
LogP4.07
Rot. Bonds3

About N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102774056) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102774056
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC[C@H](NC1CCc2cccnc21)c1ccccc1Cl
InChIInChI=1S/C16H17ClN2/c1-11(13-6-2-3-7-14(13)17)19-15-9-8-12-5-4-10-18-16(12)15/h2-7,10-11,15,19H,8-9H2,1H3/t11-,15?/m0/s1
InChIKeyXWIJCCMWFXEOBX-VPHXOMNUSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773421
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
CID 102773952
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 106282023

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102774056) is N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is C[C@H](NC1CCc2cccnc21)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is XWIJCCMWFXEOBX-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11(13-6-2-3-7-14(13)17)19-15-9-8-12-5-4-10-18-16(12)15/h2-7,10-11,15,19H,8-9H2,1H3/t11-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 272.78 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102774056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).