2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline

C14H18ClN5 — CID 43697984

IUPAC2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
SMILESCC1CCCC(Nc2cc(-n3cnnn3)ccc2Cl)C1
InChIInChI=1S/C14H18ClN5/c1-10-3-2-4-11(7-10)17-14-8-12(5-6-13(14)15)20-9-16-18-19-20/h5-6,8-11,17H,2-4,7H2,1H3
InChIKeyKPWFTVQJXQNTPE-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline

2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline (PubChem CID 43697984) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
PubChem CID43697984
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline
SMILESCC1CCCC(Nc2cc(-n3cnnn3)ccc2Cl)C1
InChIInChI=1S/C14H18ClN5/c1-10-3-2-4-11(7-10)17-14-8-12(5-6-13(14)15)20-9-16-18-19-20/h5-6,8-11,17H,2-4,7H2,1H3
InChIKeyKPWFTVQJXQNTPE-UHFFFAOYSA-N
XLogP3.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-chloro-5-(tetrazol-1-yl)anilino]cyclohexan-1-ol
CID 106593857
N-[2-chloro-5-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 103981190
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-1-ethylpiperidin-4-amine
CID 43697974
N-(3,4-dimethylcyclohexyl)-2-methyl-5-(tetrazol-1-yl)aniline
CID 64732994
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
N-(2,5-dimethylcyclohexyl)-2-fluoro-5-(tetrazol-1-yl)aniline
CID 64762871
3-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentane-1,3-diamine
CID 79461547
4-chloro-N,N-dimethyl-3-[(3-methylcyclohexyl)amino]benzamide
CID 43738737
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[(1R,3S)-3-methylcyclohexyl]oxyacetamide
CID 95624764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline (CID 43697984) is 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline is CC1CCCC(Nc2cc(-n3cnnn3)ccc2Cl)C1.
What is the InChIKey of 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline?
The InChIKey is KPWFTVQJXQNTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-10-3-2-4-11(7-10)17-14-8-12(5-6-13(14)15)20-9-16-18-19-20/h5-6,8-11,17H,2-4,7H2,1H3.
What are the key properties of 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline?
2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline has a molecular weight of 291.79 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylcyclohexyl)-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43697984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).