2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine

C19H31N — CID 63408173

IUPAC2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C
InChIInChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3
InChIKeyWBQHGTPUTIDGQW-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.78
Rot. Bonds2

About 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 63408173) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID63408173
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
SMILESCc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C
InChIInChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3
InChIKeyWBQHGTPUTIDGQW-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79857689
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine (CID 63408173) is 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine is Cc1ccc(CC2(N)CCCCC2C(C)(C)C)cc1C.
What is the InChIKey of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is WBQHGTPUTIDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14-9-10-16(12-15(14)2)13-19(20)11-7-6-8-17(19)18(3,4)5/h9-10,12,17H,6-8,11,13,20H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63408173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).