N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

C20H33N — CID 63451778

IUPACN-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCC1CCC(CNC(C)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H33N/c1-6-18-7-9-19(10-8-18)13-21-17(5)20-12-15(3)14(2)11-16(20)4/h11-12,17-19,21H,6-10,13H2,1-5H3
InChIKeyBBAXNXQFRDCTJG-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.48
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine

N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 63451778) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID63451778
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCCC1CCC(CNC(C)c2cc(C)c(C)cc2C)CC1
InChIInChI=1S/C20H33N/c1-6-18-7-9-19(10-8-18)13-21-17(5)20-12-15(3)14(2)11-16(20)4/h11-12,17-19,21H,6-10,13H2,1-5H3
InChIKeyBBAXNXQFRDCTJG-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzene-1,4-diol
CID 60971982
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
N-(2-cyclopentyloxyethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 63824975
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
1-(5-bromothiophen-2-yl)-N-[(4-ethylcyclohexyl)methyl]ethanamine
CID 63451995
N-[(3-ethylcyclopentyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 65409670
3-[1-[(4-ethylcyclohexyl)methylamino]ethyl]benzonitrile
CID 60973082
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine (CID 63451778) is N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is CCC1CCC(CNC(C)c2cc(C)c(C)cc2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is BBAXNXQFRDCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-18-7-9-19(10-8-18)13-21-17(5)20-12-15(3)14(2)11-16(20)4/h11-12,17-19,21H,6-10,13H2,1-5H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine?
N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 63451778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).