(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine

C20H33N — CID 63522356

IUPAC(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H33N/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)20(4,5)6/h11-12,16-17,19H,7-10,21H2,1-6H3
InChIKeyDSWSKBRSUKTDIL-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.46
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine

(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 63522356) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID63522356
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H33N/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)20(4,5)6/h11-12,16-17,19H,7-10,21H2,1-6H3
InChIKeyDSWSKBRSUKTDIL-UHFFFAOYSA-N
XLogP5.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004
4-[amino-(2,4,6-trimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937242
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 104989384
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
CID 65402354
2-[(S)-amino(cyclopropyl)methyl]-5-methylbenzene-1,3-diol
CID 130727329
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
cyclobutyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 82493927
cyclooctyl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680816

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine (CID 63522356) is (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCC(C(C)(C)C)CC2)c(C)c1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is DSWSKBRSUKTDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)20(4,5)6/h11-12,16-17,19H,7-10,21H2,1-6H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 63522356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).