2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine

C17H26FNO — CID 107168892

IUPAC2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Oc1ccc(C)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11(2)13-6-8-16(19-4)17(9-13)20-14-7-5-12(3)15(18)10-14/h5,7,10-11,13,16-17,19H,6,8-9H2,1-4H3
InChIKeyJLFJFDDXVZIGPB-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 107168892) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID107168892
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Oc1ccc(C)c(F)c1
InChIInChI=1S/C17H26FNO/c1-11(2)13-6-8-16(19-4)17(9-13)20-14-7-5-12(3)15(18)10-14/h5,7,10-11,13,16-17,19H,6,8-9H2,1-4H3
InChIKeyJLFJFDDXVZIGPB-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 63475434
4-(3-chloro-2-methoxycyclobutyl)oxy-2-fluoro-1-methylbenzene
CID 107171631
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62740577
4-(3,4-dimethylcyclohexyl)oxy-2-fluoro-1-methylbenzene
CID 107171488
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 63500371
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 102981024

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 107168892) is 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Oc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JLFJFDDXVZIGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-11(2)13-6-8-16(19-4)17(9-13)20-14-7-5-12(3)15(18)10-14/h5,7,10-11,13,16-17,19H,6,8-9H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenoxy)-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107168892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).