1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

C17H26FNO — CID 107693086

IUPAC1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC2CC(C)CC(C)C2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11-6-12(2)8-15(7-11)20-17-5-4-14(9-13(3)19)10-16(17)18/h4-5,10-13,15H,6-9,19H2,1-3H3
InChIKeyXOPIFEJSDFXUQO-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.92
Rot. Bonds4

About 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine

1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (PubChem CID 107693086) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
PubChem CID107693086
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OC2CC(C)CC(C)C2)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11-6-12(2)8-15(7-11)20-17-5-4-14(9-13(3)19)10-16(17)18/h4-5,10-13,15H,6-9,19H2,1-3H3
InChIKeyXOPIFEJSDFXUQO-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
CID 107690791
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]ethanamine
CID 64729201
1-[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]propan-2-amine
CID 107692941
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
(1S)-1-[5-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 78999225
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-(4-but-3-en-2-yloxy-3-fluorophenyl)propan-2-amine
CID 107693102

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine (CID 107693086) is 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is CC(N)Cc1ccc(OC2CC(C)CC(C)C2)c(F)c1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
The InChIKey is XOPIFEJSDFXUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11-6-12(2)8-15(7-11)20-17-5-4-14(9-13(3)19)10-16(17)18/h4-5,10-13,15H,6-9,19H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine?
1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).