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

C19H31NO — CID 63475749

IUPACN-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1)c1ccc(C)cc1C
InChIInChI=1S/C19H31NO/c1-4-12-20-19(14-21-17-8-6-5-7-9-17)18-11-10-15(2)13-16(18)3/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3
InChIKeyCXTAXKXTZNISLF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.69
Rot. Bonds7

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

N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 63475749) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID63475749
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1)c1ccc(C)cc1C
InChIInChI=1S/C19H31NO/c1-4-12-20-19(14-21-17-8-6-5-7-9-17)18-11-10-15(2)13-16(18)3/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3
InChIKeyCXTAXKXTZNISLF-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
N-(2-cyclobutyloxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 62116847
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine (CID 63475749) is N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(COC1CCCCC1)c1ccc(C)cc1C.
What is the InChIKey of N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is CXTAXKXTZNISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-12-20-19(14-21-17-8-6-5-7-9-17)18-11-10-15(2)13-16(18)3/h10-11,13,17,19-20H,4-9,12,14H2,1-3H3.
What are the key properties of N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyloxy-1-(2,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63475749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).