3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine

C16H24FNO — CID 107169056

IUPAC3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-9-18-13-5-4-6-14(10-13)19-15-8-7-12(2)16(17)11-15/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3
InChIKeyYXTBANBNPFYIIC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.82
Rot. Bonds5

About 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine

3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine (PubChem CID 107169056) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
PubChem CID107169056
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(C)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-9-18-13-5-4-6-14(10-13)19-15-8-7-12(2)16(17)11-15/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3
InChIKeyYXTBANBNPFYIIC-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
N-propyl-3-quinolin-7-yloxycyclohexan-1-amine
CID 107313463
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 103396741
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
6-(3-fluoro-4-methylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 107168928
3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
CID 107664429
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine (CID 107169056) is 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine is CCCNC1CCCC(Oc2ccc(C)c(F)c2)C1.
What is the InChIKey of 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine?
The InChIKey is YXTBANBNPFYIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-9-18-13-5-4-6-14(10-13)19-15-8-7-12(2)16(17)11-15/h7-8,11,13-14,18H,3-6,9-10H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine?
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107169056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).