(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine

C16H23F2NO — CID 107513888

IUPAC(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(F)c2F)CCC(C)CC1
InChIInChI=1S/C16H23F2NO/c1-10-6-8-16(20-3,9-7-10)15(19)12-5-4-11(2)13(17)14(12)18/h4-5,10,15H,6-9,19H2,1-3H3
InChIKeyDHFRJYYFWKVTKA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.87
Rot. Bonds3

About (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine

(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine (PubChem CID 107513888) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
PubChem CID107513888
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)c(F)c2F)CCC(C)CC1
InChIInChI=1S/C16H23F2NO/c1-10-6-8-16(20-3,9-7-10)15(19)12-5-4-11(2)13(17)14(12)18/h4-5,10,15H,6-9,19H2,1-3H3
InChIKeyDHFRJYYFWKVTKA-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754388
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
(1-methoxy-4-methylcyclohexyl)-pyrimidin-5-ylmethanamine
CID 116766074
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769039
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
1-(2,3-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 107515843
(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
(1-methoxy-4-methylcyclohexyl)-(3-propan-2-yloxyphenyl)methanamine
CID 116766270

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine (CID 107513888) is (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine is COC1(C(N)c2ccc(C)c(F)c2F)CCC(C)CC1.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The InChIKey is DHFRJYYFWKVTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-10-6-8-16(20-3,9-7-10)15(19)12-5-4-11(2)13(17)14(12)18/h4-5,10,15H,6-9,19H2,1-3H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine has a molecular weight of 283.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 107513888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).