(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine

C18H29N — CID 107189233

IUPAC(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCCC2(C)C)cc1C
InChIInChI=1S/C18H29N/c1-12-10-14(3)15(11-13(12)2)17(19)16-8-6-7-9-18(16,4)5/h10-11,16-17H,6-9,19H2,1-5H3
InChIKeyUCDFHNWYQFLPCH-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.83
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine

(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 107189233) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID107189233
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCCCC2(C)C)cc1C
InChIInChI=1S/C18H29N/c1-12-10-14(3)15(11-13(12)2)17(19)16-8-6-7-9-18(16,4)5/h10-11,16-17H,6-9,19H2,1-5H3
InChIKeyUCDFHNWYQFLPCH-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177827
1-bromo-4-[bromo-(2,2-dimethylcyclohexyl)methyl]-2,5-dimethylbenzene
CID 107182405
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107182571
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182324
2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79862070
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622
(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
(2,2-dimethylcyclohexyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107177030
(3-chloro-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177072
(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191802
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine (CID 107189233) is (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCCCC2(C)C)cc1C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is UCDFHNWYQFLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-12-10-14(3)15(11-13(12)2)17(19)16-8-6-7-9-18(16,4)5/h10-11,16-17H,6-9,19H2,1-5H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
(2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 107189233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).