2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C17H26ClN — CID 64764440

IUPAC2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2cccc(Cl)c2)C(N)C1
InChIInChI=1S/C17H26ClN/c1-12-7-8-15(16(19)9-12)17(2,3)11-13-5-4-6-14(18)10-13/h4-6,10,12,15-16H,7-9,11,19H2,1-3H3
InChIKeyZJWRJURQMRGOPR-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.67
Rot. Bonds3

About 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64764440) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64764440
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCC1CCC(C(C)(C)Cc2cccc(Cl)c2)C(N)C1
InChIInChI=1S/C17H26ClN/c1-12-7-8-15(16(19)9-12)17(2,3)11-13-5-4-6-14(18)10-13/h4-6,10,12,15-16H,7-9,11,19H2,1-3H3
InChIKeyZJWRJURQMRGOPR-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765538
2-[1-(2-bromophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765003
2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765730
2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765540
2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765559
1-(3-chlorophenyl)-2-cyclopropylpropan-2-ol
CID 60798785
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765911
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64765920
cis-(1R,3S)-3-[[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677230
2-(1-cyclopentyl-2-methylpropan-2-yl)-5-methylcyclohexan-1-amine
CID 64765709
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64764440) is 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is CC1CCC(C(C)(C)Cc2cccc(Cl)c2)C(N)C1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is ZJWRJURQMRGOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-12-7-8-15(16(19)9-12)17(2,3)11-13-5-4-6-14(18)10-13/h4-6,10,12,15-16H,7-9,11,19H2,1-3H3.
What are the key properties of 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 279.85 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64764440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).