2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine

C16H24FNO — CID 102981024

IUPAC2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(F)cc1OC1CC(C(C)C)CCC1N
InChIInChI=1S/C16H24FNO/c1-10(2)12-5-7-14(18)16(8-12)19-15-9-13(17)6-4-11(15)3/h4,6,9-10,12,14,16H,5,7-8,18H2,1-3H3
InChIKeyAYWONOGSTNZLGQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine

2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 102981024) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
PubChem CID102981024
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccc(F)cc1OC1CC(C(C)C)CCC1N
InChIInChI=1S/C16H24FNO/c1-10(2)12-5-7-14(18)16(8-12)19-15-9-13(17)6-4-11(15)3/h4,6,9-10,12,14,16H,5,7-8,18H2,1-3H3
InChIKeyAYWONOGSTNZLGQ-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704642
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
2-(4-ethoxyphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 62704274
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-(2-fluorophenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 62704875
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine (CID 102981024) is 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine is Cc1ccc(F)cc1OC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is AYWONOGSTNZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-10(2)12-5-7-14(18)16(8-12)19-15-9-13(17)6-4-11(15)3/h4,6,9-10,12,14,16H,5,7-8,18H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine?
2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 102981024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).