2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine

C16H23ClFN — CID 82805344

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCC1CCC(C(N)Cc2cccc(Cl)c2F)CC1C
InChIInChI=1S/C16H23ClFN/c1-10-6-7-12(8-11(10)2)15(19)9-13-4-3-5-14(17)16(13)18/h3-5,10-12,15H,6-9,19H2,1-2H3
InChIKeyCPDXTWLPRKTSGC-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.42
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine (PubChem CID 82805344) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
PubChem CID82805344
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
SMILESCC1CCC(C(N)Cc2cccc(Cl)c2F)CC1C
InChIInChI=1S/C16H23ClFN/c1-10-6-7-12(8-11(10)2)15(19)9-13-4-3-5-14(17)16(13)18/h3-5,10-12,15H,6-9,19H2,1-2H3
InChIKeyCPDXTWLPRKTSGC-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 102857380
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107191661
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine (CID 82805344) is 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine is CC1CCC(C(N)Cc2cccc(Cl)c2F)CC1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
The InChIKey is CPDXTWLPRKTSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-10-6-7-12(8-11(10)2)15(19)9-13-4-3-5-14(17)16(13)18/h3-5,10-12,15H,6-9,19H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 82805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).