3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine

C17H27NO — CID 43079659

IUPAC3-cyclohexyloxy-N-(1-phenylethyl)propan-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/h2,4-5,9-10,15,17-18H,3,6-8,11-14H2,1H3
InChIKeyZIPUBXGOJFQAIL-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds7

About 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine

3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine (PubChem CID 43079659) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
PubChem CID43079659
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-cyclohexyloxy-N-(1-phenylethyl)propan-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/h2,4-5,9-10,15,17-18H,3,6-8,11-14H2,1H3
InChIKeyZIPUBXGOJFQAIL-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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

3-cyclohexyloxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43102546
1-(3-cyclopentyloxypropyl)-2-methyl-3-(1-phenylethyl)guanidine
CID 110948758
3-(cyclopropylmethoxy)-N-(1-phenylethyl)propan-1-amine
CID 43183021
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43770856
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
2-[[(3-cyclohexyloxypropylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545914

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine (CID 43079659) is 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine is CC(NCCCOC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine?
The InChIKey is ZIPUBXGOJFQAIL-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/h2,4-5,9-10,15,17-18H,3,6-8,11-14H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine?
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine is sourced from PubChem (CID 43079659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).