[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine

C14H17ClN2 — CID 115004408

IUPAC[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
SMILESNCC1(c2cc(Cl)c3cc[nH]c3c2)CCCC1
InChIInChI=1S/C14H17ClN2/c15-12-7-10(8-13-11(12)3-6-17-13)14(9-16)4-1-2-5-14/h3,6-8,17H,1-2,4-5,9,16H2
InChIKeyLJVAQFWTQFDZNI-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.59
Rot. Bonds2

About [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine

[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine (PubChem CID 115004408) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
PubChem CID115004408
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine
SMILESNCC1(c2cc(Cl)c3cc[nH]c3c2)CCCC1
InChIInChI=1S/C14H17ClN2/c15-12-7-10(8-13-11(12)3-6-17-13)14(9-16)4-1-2-5-14/h3,6-8,17H,1-2,4-5,9,16H2
InChIKeyLJVAQFWTQFDZNI-UHFFFAOYSA-N
XLogP3.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
[1-(3-chloro-5-cyclopentyl-4-methoxyphenyl)cyclopentyl]methanamine
CID 117492816
[1-(3-chloro-5-methylphenyl)cyclohexyl]methanamine
CID 84799016
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
5-[1-(aminomethyl)cyclopentyl]-2-chlorophenol
CID 84790699
[1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)cyclohexyl]methanamine
CID 117418736

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine (CID 115004408) is [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine is NCC1(c2cc(Cl)c3cc[nH]c3c2)CCCC1.
What is the InChIKey of [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine?
The InChIKey is LJVAQFWTQFDZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-12-7-10(8-13-11(12)3-6-17-13)14(9-16)4-1-2-5-14/h3,6-8,17H,1-2,4-5,9,16H2.
What are the key properties of [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine?
[1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine has a molecular weight of 248.76 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1H-indol-6-yl)cyclopentyl]methanamine is sourced from PubChem (CID 115004408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).