N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine

C18H29NO — CID 63827808

IUPACN-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCOC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-18(16-11-9-15(2)10-12-16)19-13-14-20-17-7-5-4-6-8-17/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyLKQKPMJQSBDSNJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.39
Rot. Bonds7

About N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine

N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 63827808) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
PubChem CID63827808
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NCCOC1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C18H29NO/c1-3-18(16-11-9-15(2)10-12-16)19-13-14-20-17-7-5-4-6-8-17/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyLKQKPMJQSBDSNJ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.39
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

N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
N-[(1S)-1-cyclopentylethyl]-1-(4-methylphenyl)propan-1-amine
CID 81386303
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
N-[2-(2-methylcyclohexyl)oxy-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63475077
2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine (CID 63827808) is N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine is CCC(NCCOC1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is LKQKPMJQSBDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-18(16-11-9-15(2)10-12-16)19-13-14-20-17-7-5-4-6-8-17/h9-12,17-19H,3-8,13-14H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine?
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 63827808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).