2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

C15H21F2NO — CID 79887676

IUPAC2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2c(F)cc(CCN)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10-2-4-12(5-3-10)19-15-13(16)8-11(6-7-18)9-14(15)17/h8-10,12H,2-7,18H2,1H3
InChIKeyHQNRXXWOHLQPLS-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.42
Rot. Bonds4

About 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine

2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 79887676) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
PubChem CID79887676
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
SMILESCC1CCC(Oc2c(F)cc(CCN)cc2F)CC1
InChIInChI=1S/C15H21F2NO/c1-10-2-4-12(5-3-10)19-15-13(16)8-11(6-7-18)9-14(15)17/h8-10,12H,2-7,18H2,1H3
InChIKeyHQNRXXWOHLQPLS-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
2-(4-cycloheptyloxy-3,5-difluorophenyl)ethanamine
CID 82930013
1-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 79892077
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
2-[3-ethoxy-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64773825
2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
CID 79888054
1-[4-(4-ethylcyclohexyl)oxy-3,5-difluorophenyl]-N-methylmethanamine
CID 79892159
2-[5-methyl-2-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776286
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
CID 64750283
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
4-cyclobutyloxy-3,5-difluoroaniline
CID 62115960
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine (CID 79887676) is 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is CC1CCC(Oc2c(F)cc(CCN)cc2F)CC1.
What is the InChIKey of 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is HQNRXXWOHLQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10-2-4-12(5-3-10)19-15-13(16)8-11(6-7-18)9-14(15)17/h8-10,12H,2-7,18H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine?
2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 79887676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).