N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine

C19H31NO — CID 116764056

IUPACN-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)C1(OCC)CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-11-10-15(3)14-16(17)4)19(21-6-2)12-8-7-9-13-19/h10-11,14,18,20H,5-9,12-13H2,1-4H3
InChIKeyYJILYMWMZGJKBH-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.69
Rot. Bonds6

About N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine

N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine (PubChem CID 116764056) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
PubChem CID116764056
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)C1(OCC)CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-11-10-15(3)14-16(17)4)19(21-6-2)12-8-7-9-13-19/h10-11,14,18,20H,5-9,12-13H2,1-4H3
InChIKeyYJILYMWMZGJKBH-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762398
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methanol
CID 116753536
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105278412
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine (CID 116764056) is N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)C1(OCC)CCCCC1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
The InChIKey is YJILYMWMZGJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-18(17-11-10-15(3)14-16(17)4)19(21-6-2)12-8-7-9-13-19/h10-11,14,18,20H,5-9,12-13H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine?
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116764056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).