N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine

C19H31N — CID 43493979

IUPACN-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31N/c1-4-12-20-19(14-17-8-6-5-7-9-17)18-11-10-15(2)16(3)13-18/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3
InChIKeyZTPFZMAPUBCLMR-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.31
Rot. Bonds6

About N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine

N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 43493979) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID43493979
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCC1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H31N/c1-4-12-20-19(14-17-8-6-5-7-9-17)18-11-10-15(2)16(3)13-18/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3
InChIKeyZTPFZMAPUBCLMR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105254156
N-[2-cyclobutyl-1-(2,4,5-trimethylphenyl)ethyl]propan-1-amine
CID 103168829
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105151653
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115847181
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine (CID 43493979) is N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCCCC1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is ZTPFZMAPUBCLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-4-12-20-19(14-17-8-6-5-7-9-17)18-11-10-15(2)16(3)13-18/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3.
What are the key properties of N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43493979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).