3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine

C17H26FNO — CID 63645848

IUPAC3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCOC2CCCCC2)cc1F
InChIInChI=1S/C17H26FNO/c1-14-8-9-15(12-17(14)18)13-19-10-5-11-20-16-6-3-2-4-7-16/h8-9,12,16,19H,2-7,10-11,13H2,1H3
InChIKeyAJTBAIOYNDHSKP-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.96
Rot. Bonds7

About 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine (PubChem CID 63645848) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
PubChem CID63645848
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCOC2CCCCC2)cc1F
InChIInChI=1S/C17H26FNO/c1-14-8-9-15(12-17(14)18)13-19-10-5-11-20-16-6-3-2-4-7-16/h8-9,12,16,19H,2-7,10-11,13H2,1H3
InChIKeyAJTBAIOYNDHSKP-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.96
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-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233320
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115968035
2-cyclohexyloxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115767735
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
3-cyclopentyloxy-N-(thiophen-3-ylmethyl)propan-1-amine;hydrochloride
CID 115598283
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
3-cyclohexyloxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 28781680
N-[(3-fluoro-4-methylphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 63646355

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine (CID 63645848) is 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine is Cc1ccc(CNCCCOC2CCCCC2)cc1F.
What is the InChIKey of 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
The InChIKey is AJTBAIOYNDHSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-14-8-9-15(12-17(14)18)13-19-10-5-11-20-16-6-3-2-4-7-16/h8-9,12,16,19H,2-7,10-11,13H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).