(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine

C18H29N — CID 65415344

IUPAC(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C18H29N/c1-5-15-7-6-8-16(11-15)18(19)17-10-13(3)12(2)9-14(17)4/h9-10,15-16,18H,5-8,11,19H2,1-4H3
InChIKeyCGEYCBDYIDMKQG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.83
Rot. Bonds3

About (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine

(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 65415344) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID65415344
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cc(C)c(C)cc2C)C1
InChIInChI=1S/C18H29N/c1-5-15-7-6-8-16(11-15)18(19)17-10-13(3)12(2)9-14(17)4/h9-10,15-16,18H,5-8,11,19H2,1-4H3
InChIKeyCGEYCBDYIDMKQG-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
(2,4-dichlorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992313
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(3-ethylcyclohexyl)-(3-methylfuran-2-yl)methanamine
CID 104804511
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 115998020
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
(4-bromo-2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 104992584
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine (CID 65415344) is (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine is CCC1CCCC(C(N)c2cc(C)c(C)cc2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is CGEYCBDYIDMKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15-7-6-8-16(11-15)18(19)17-10-13(3)12(2)9-14(17)4/h9-10,15-16,18H,5-8,11,19H2,1-4H3.
What are the key properties of (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine?
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 65415344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).