[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine

C15H19ClN2 — CID 117411533

IUPAC[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cccc3c(Cl)c[nH]c23)CCCCC1
InChIInChI=1S/C15H19ClN2/c16-13-9-18-14-11(13)5-4-6-12(14)15(10-17)7-2-1-3-8-15/h4-6,9,18H,1-3,7-8,10,17H2
InChIKeyZRIIDGUBFLJRCQ-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.98
Rot. Bonds2

About [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine

[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine (PubChem CID 117411533) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
PubChem CID117411533
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine
SMILESNCC1(c2cccc3c(Cl)c[nH]c23)CCCCC1
InChIInChI=1S/C15H19ClN2/c16-13-9-18-14-11(13)5-4-6-12(14)15(10-17)7-2-1-3-8-15/h4-6,9,18H,1-3,7-8,10,17H2
InChIKeyZRIIDGUBFLJRCQ-UHFFFAOYSA-N
XLogP3.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(1H-indol-7-yl)cyclohexyl]methanamine
CID 96801849
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(3-bromo-1-benzofuran-7-yl)cyclopentyl]methanamine
CID 117474516
[1-(2-bromophenyl)cycloheptyl]methanamine
CID 62829513
[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
CID 82501566
4-[1-(aminomethyl)cyclohexyl]-1,3-dihydrobenzimidazol-2-one
CID 117365497
[1-(2-iodophenyl)cyclopentyl]methanamine
CID 70594144
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(3-bromo-1-benzofuran-7-yl)cyclobutyl]methanamine
CID 117449463

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine (CID 117411533) is [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine is NCC1(c2cccc3c(Cl)c[nH]c23)CCCCC1.
What is the InChIKey of [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine?
The InChIKey is ZRIIDGUBFLJRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c16-13-9-18-14-11(13)5-4-6-12(14)15(10-17)7-2-1-3-8-15/h4-6,9,18H,1-3,7-8,10,17H2.
What are the key properties of [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine?
[1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine has a molecular weight of 262.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-1H-indol-7-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117411533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).