[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine

C16H21ClN2 — CID 117443469

IUPAC[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine
SMILESCn1ccc2c(Cl)c(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C16H21ClN2/c1-19-10-7-12-14(19)6-5-13(15(12)17)16(11-18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,18H2,1H3
InChIKeyFXNWNOMIBOWLGR-UHFFFAOYSA-N
MW276.81 g/mol
LogP3.99
Rot. Bonds2

About [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine

[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine (PubChem CID 117443469) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine
PubChem CID117443469
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine
SMILESCn1ccc2c(Cl)c(C3(CN)CCCCC3)ccc21
InChIInChI=1S/C16H21ClN2/c1-19-10-7-12-14(19)6-5-13(15(12)17)16(11-18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,18H2,1H3
InChIKeyFXNWNOMIBOWLGR-UHFFFAOYSA-N
XLogP3.99
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-methoxy-1-methylindol-4-yl)cyclopentyl]methanamine
CID 117399804
[1-(1-methylindol-5-yl)cyclohexyl]methanamine
CID 117358358
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(5-ethyl-1-methylindol-3-yl)cyclopentyl]methanamine
CID 82278342
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117423233
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine (CID 117443469) is [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine is Cn1ccc2c(Cl)c(C3(CN)CCCCC3)ccc21.
What is the InChIKey of [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine?
The InChIKey is FXNWNOMIBOWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c1-19-10-7-12-14(19)6-5-13(15(12)17)16(11-18)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11,18H2,1H3.
What are the key properties of [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine?
[1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine has a molecular weight of 276.81 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-methylindol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).