1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine

C16H24FNO — CID 55020306

IUPAC1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
SMILESCC1CCC(OC(c2cccc(F)c2)C(C)N)CC1
InChIInChI=1S/C16H24FNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-5,10-12,15-16H,6-9,18H2,1-2H3
InChIKeyXOHKHMSNNRISMY-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.81
Rot. Bonds4

About 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine

1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine (PubChem CID 55020306) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
PubChem CID55020306
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
SMILESCC1CCC(OC(c2cccc(F)c2)C(C)N)CC1
InChIInChI=1S/C16H24FNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-5,10-12,15-16H,6-9,18H2,1-2H3
InChIKeyXOHKHMSNNRISMY-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
CID 64744328
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
CID 170961786
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine (CID 55020306) is 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine is CC1CCC(OC(c2cccc(F)c2)C(C)N)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine?
The InChIKey is XOHKHMSNNRISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-6-8-15(9-7-11)19-16(12(2)18)13-4-3-5-14(17)10-13/h3-5,10-12,15-16H,6-9,18H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine?
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine has a molecular weight of 265.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine is sourced from PubChem (CID 55020306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).