N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine

C19H31NO — CID 64728979

IUPACN-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
SMILESCCCNC(COC1CC(C)CC(C)C1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-4-10-20-19(17-8-6-5-7-9-17)14-21-18-12-15(2)11-16(3)13-18/h5-9,15-16,18-20H,4,10-14H2,1-3H3
InChIKeyWFHHSLJAMMPJNO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.57
Rot. Bonds7

About N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine

N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine (PubChem CID 64728979) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
PubChem CID64728979
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
SMILESCCCNC(COC1CC(C)CC(C)C1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-4-10-20-19(17-8-6-5-7-9-17)14-21-18-12-15(2)11-16(3)13-18/h5-9,15-16,18-20H,4,10-14H2,1-3H3
InChIKeyWFHHSLJAMMPJNO-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 63473660
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
N-[2-(3,4-dimethoxypyrrolidin-1-yl)-1-phenylethyl]propan-1-amine
CID 103532396
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
1-(3,4-dimethylphenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63474390
N-(2-cyclobutyloxy-1-naphthalen-1-ylethyl)propan-1-amine
CID 62116847

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine (CID 64728979) is N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine is CCCNC(COC1CC(C)CC(C)C1)c1ccccc1.
What is the InChIKey of N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The InChIKey is WFHHSLJAMMPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-10-20-19(17-8-6-5-7-9-17)14-21-18-12-15(2)11-16(3)13-18/h5-9,15-16,18-20H,4,10-14H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 64728979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).