(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine

C17H27N — CID 65395177

IUPAC(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-14-5-7-15(8-6-14)17(18)16-10-12(2)9-13(3)11-16/h9-11,14-15,17H,4-8,18H2,1-3H3
InChIKeyWMQYWNNRVWWZQA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.52
Rot. Bonds3

About (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine

(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine (PubChem CID 65395177) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
PubChem CID65395177
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
SMILESCCC1CCC(C(N)c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H27N/c1-4-14-5-7-15(8-6-14)17(18)16-10-12(2)9-13(3)11-16/h9-11,14-15,17H,4-8,18H2,1-3H3
InChIKeyWMQYWNNRVWWZQA-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807244
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(5-chloro-2-methylphenyl)-(4-ethylcyclohexyl)methanamine
CID 104990915
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)ethanol
CID 64776027
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine (CID 65395177) is (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine is CCC1CCC(C(N)c2cc(C)cc(C)c2)CC1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine?
The InChIKey is WMQYWNNRVWWZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-14-5-7-15(8-6-14)17(18)16-10-12(2)9-13(3)11-16/h9-11,14-15,17H,4-8,18H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine?
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine is sourced from PubChem (CID 65395177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).