N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine

C19H31NO — CID 63473660

IUPACN-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-14-20-18(17-11-6-5-7-12-17)15-21-19-13-9-8-10-16(19)4-2/h5-7,11-12,16,18-20H,3-4,8-10,13-15H2,1-2H3
InChIKeyCUZHUMYMWPOZQN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.71
Rot. Bonds8

About N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine

N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine (PubChem CID 63473660) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
PubChem CID63473660
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
SMILESCCCNC(COC1CCCCC1CC)c1ccccc1
InChIInChI=1S/C19H31NO/c1-3-14-20-18(17-11-6-5-7-12-17)15-21-19-13-9-8-10-16(19)4-2/h5-7,11-12,16,18-20H,3-4,8-10,13-15H2,1-2H3
InChIKeyCUZHUMYMWPOZQN-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63475077
N-[2-(3,5-dimethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine
CID 64728979
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[1-[3-(2-ethylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 63863376
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-[2-cyclopentyloxy-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63473597
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N-(2-cyclopentylsulfinyl-1-phenylethyl)propan-1-amine
CID 64655436
N-(2-cyclohexylsulfinyl-1-phenylethyl)propan-1-amine
CID 64656793
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine (CID 63473660) is N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine is CCCNC(COC1CCCCC1CC)c1ccccc1.
What is the InChIKey of N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
The InChIKey is CUZHUMYMWPOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-14-20-18(17-11-6-5-7-12-17)15-21-19-13-9-8-10-16(19)4-2/h5-7,11-12,16,18-20H,3-4,8-10,13-15H2,1-2H3.
What are the key properties of N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine?
N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylcyclohexyl)oxy-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 63473660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).