(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine

C18H29N — CID 104989384

IUPAC(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C)C(C)C2)c(C)c1
InChIInChI=1S/C18H29N/c1-11-8-14(4)17(15(5)9-11)18(19)16-7-6-12(2)13(3)10-16/h8-9,12-13,16,18H,6-7,10,19H2,1-5H3
InChIKeyDIALHAAHANNANU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.68
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine

(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 104989384) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID104989384
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CCC(C)C(C)C2)c(C)c1
InChIInChI=1S/C18H29N/c1-11-8-14(4)17(15(5)9-11)18(19)16-7-6-12(2)13(3)10-16/h8-9,12-13,16,18H,6-7,10,19H2,1-5H3
InChIKeyDIALHAAHANNANU-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(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
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
(4-bromo-2,6-difluorophenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989591
2-[(R)-amino(cyclopropyl)methyl]-3,5-dimethylphenol
CID 130674108
1-(3,4-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)ethanamine
CID 64738041
(R)-oxan-4-yl-(2,4,6-trimethylphenyl)methanamine;hydrochloride
CID 171248247
(3,4-dimethylcyclohexyl)-(5-methylfuran-3-yl)methanamine
CID 104989300
(3-ethylcyclopentyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881656
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine (CID 104989384) is (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CCC(C)C(C)C2)c(C)c1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is DIALHAAHANNANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-11-8-14(4)17(15(5)9-11)18(19)16-7-6-12(2)13(3)10-16/h8-9,12-13,16,18H,6-7,10,19H2,1-5H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine?
(3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 104989384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).