N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine

C19H31N — CID 106826930

IUPACN-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)C1(C)CCCCC1
InChIInChI=1S/C19H31N/c1-5-13-20-18(19(4)11-7-6-8-12-19)17-10-9-15(2)16(3)14-17/h9-10,14,18,20H,5-8,11-13H2,1-4H3
InChIKeyYWDVLUVPQQQHNH-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.31
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine (PubChem CID 106826930) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
PubChem CID106826930
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)C1(C)CCCCC1
InChIInChI=1S/C19H31N/c1-5-13-20-18(19(4)11-7-6-8-12-19)17-10-9-15(2)16(3)14-17/h9-10,14,18,20H,5-8,11-13H2,1-4H3
InChIKeyYWDVLUVPQQQHNH-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
N-[(3-bromo-4-fluorophenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106827096
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826940
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105052066
N-[2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclopropyl)methyl]propan-1-amine
CID 104542759
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
5-[ethylamino-(1-methylcyclohexyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 106826902
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine (CID 106826930) is N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)C1(C)CCCCC1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YWDVLUVPQQQHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-13-20-18(19(4)11-7-6-8-12-19)17-10-9-15(2)16(3)14-17/h9-10,14,18,20H,5-8,11-13H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine?
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106826930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).