(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C16H17ClN2 — CID 105009692

IUPAC(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESCc1ccc(C(N)C2CCc3cccnc32)cc1Cl
InChIInChI=1S/C16H17ClN2/c1-10-4-5-12(9-14(10)17)15(18)13-7-6-11-3-2-8-19-16(11)13/h2-5,8-9,13,15H,6-7,18H2,1H3
InChIKeyMTZDMMABCXYJQE-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.77
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 105009692) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID105009692
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESCc1ccc(C(N)C2CCc3cccnc32)cc1Cl
InChIInChI=1S/C16H17ClN2/c1-10-4-5-12(9-14(10)17)15(18)13-7-6-11-3-2-8-19-16(11)13/h2-5,8-9,13,15H,6-7,18H2,1H3
InChIKeyMTZDMMABCXYJQE-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methylphenyl)methanamine
CID 79748906
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945
(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79746303
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 79732380
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899
(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 105009692) is (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is Cc1ccc(C(N)C2CCc3cccnc32)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is MTZDMMABCXYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-10-4-5-12(9-14(10)17)15(18)13-7-6-11-3-2-8-19-16(11)13/h2-5,8-9,13,15H,6-7,18H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 272.78 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 105009692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).