N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine

C17H27NO — CID 62381130

IUPACN-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
SMILESCC(NCCCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-15(16-9-4-2-5-10-16)18-13-8-14-19-17-11-6-3-7-12-17/h3,6-7,11-12,15-16,18H,2,4-5,8-10,13-14H2,1H3
InChIKeyAJJZTKOXLHPNFV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.01
Rot. Bonds7

About N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine

N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine (PubChem CID 62381130) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
PubChem CID62381130
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(1-cyclohexylethyl)-3-phenoxypropan-1-amine
SMILESCC(NCCCOc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-15(16-9-4-2-5-10-16)18-13-8-14-19-17-11-6-3-7-12-17/h3,6-7,11-12,15-16,18H,2,4-5,8-10,13-14H2,1H3
InChIKeyAJJZTKOXLHPNFV-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclopentyl-N-(2-phenoxyethyl)ethanamine
CID 81393795
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
3-[2-[[(1S)-1-cyclopentylethyl]amino]ethoxy]benzoic acid
CID 103259942
(2R)-N-cyclopentyl-2-(2-phenoxyethylamino)propanamide
CID 94613245
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
2-[2-[[(1S)-1-cyclohexylethyl]amino]ethoxy]benzoic acid
CID 103257504
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
1-cyclopropyl-N-[2-(4-ethoxyphenoxy)ethyl]ethanamine
CID 55024132
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine (CID 62381130) is N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine is CC(NCCCOc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine?
The InChIKey is AJJZTKOXLHPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(16-9-4-2-5-10-16)18-13-8-14-19-17-11-6-3-7-12-17/h3,6-7,11-12,15-16,18H,2,4-5,8-10,13-14H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine?
N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 62381130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).