N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C17H19FN2O — CID 102773190

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCOc1ccc(C(C)NC2CCc3cccnc32)cc1F
InChIInChI=1S/C17H19FN2O/c1-11(13-6-8-16(21-2)14(18)10-13)20-15-7-5-12-4-3-9-19-17(12)15/h3-4,6,8-11,15,20H,5,7H2,1-2H3
InChIKeyMKLGTQKIXRTIRU-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773190) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773190
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCOc1ccc(C(C)NC2CCc3cccnc32)cc1F
InChIInChI=1S/C17H19FN2O/c1-11(13-6-8-16(21-2)14(18)10-13)20-15-7-5-12-4-3-9-19-17(12)15/h3-4,6,8-11,15,20H,5,7H2,1-2H3
InChIKeyMKLGTQKIXRTIRU-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
CID 106187476
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]oxolan-2-one
CID 43824150
N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773421
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549
N-(1-ethoxypropan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773638

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773190) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is COc1ccc(C(C)NC2CCc3cccnc32)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is MKLGTQKIXRTIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11(13-6-8-16(21-2)14(18)10-13)20-15-7-5-12-4-3-9-19-17(12)15/h3-4,6,8-11,15,20H,5,7H2,1-2H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 286.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).