1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine

C17H27NO — CID 54793709

IUPAC1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-17(18)15-8-10-16(11-9-15)19-13-12-14-6-4-3-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3
InChIKeyKGWBSBMLEHHIDO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine

1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine (PubChem CID 54793709) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
PubChem CID54793709
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-17(18)15-8-10-16(11-9-15)19-13-12-14-6-4-3-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3
InChIKeyKGWBSBMLEHHIDO-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
2-(cyclopentylmethoxy)-1-(4-propoxyphenyl)ethanamine
CID 66323892
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine (CID 54793709) is 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine is CCC(N)c1ccc(OCCC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine?
The InChIKey is KGWBSBMLEHHIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-17(18)15-8-10-16(11-9-15)19-13-12-14-6-4-3-5-7-14/h8-11,14,17H,2-7,12-13,18H2,1H3.
What are the key properties of 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine?
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 54793709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).