1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

C19H31N — CID 105151232

IUPAC1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCCC1CCCCC1C(CCc1cccc(C)c1)NC
InChIInChI=1S/C19H31N/c1-4-17-10-5-6-11-18(17)19(20-3)13-12-16-9-7-8-15(2)14-16/h7-9,14,17-20H,4-6,10-13H2,1-3H3
InChIKeyYWJXEOGFKFUNNU-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine

1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (PubChem CID 105151232) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
PubChem CID105151232
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
SMILESCCC1CCCCC1C(CCc1cccc(C)c1)NC
InChIInChI=1S/C19H31N/c1-4-17-10-5-6-11-18(17)19(20-3)13-12-16-9-7-8-15(2)14-16/h7-9,14,17-20H,4-6,10-13H2,1-3H3
InChIKeyYWJXEOGFKFUNNU-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylcyclohexyl)-3-(3-methylphenyl)propan-1-amine
CID 105151295
1-(2-ethylcyclohexyl)-2-(3-methylphenyl)ethanol
CID 63863084
[1-cyclohexyl-3-(3-methylphenyl)propyl]hydrazine
CID 105282141
[1-(3-ethylcyclohexyl)-3-(3-methylphenyl)propyl]hydrazine
CID 105313791
2-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclopropan-1-amine
CID 103783805
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
N-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine (CID 105151232) is 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is CCC1CCCCC1C(CCc1cccc(C)c1)NC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
The InChIKey is YWJXEOGFKFUNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-17-10-5-6-11-18(17)19(20-3)13-12-16-9-7-8-15(2)14-16/h7-9,14,17-20H,4-6,10-13H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine?
1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105151232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).