1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine

C16H23ClFN — CID 104992251

IUPAC1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCC(C(NC)c2cccc(F)c2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3
InChIKeyRCIAZAHXCXLLSM-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.96
Rot. Bonds4

About 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine

1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104992251) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104992251
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCCC(C(NC)c2cccc(F)c2Cl)C1
InChIInChI=1S/C16H23ClFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3
InChIKeyRCIAZAHXCXLLSM-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992374
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
CID 64713267
[(2-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105211066
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
[(4-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105193324
1-(3-ethylcyclopentyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65411611

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine (CID 104992251) is 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine is CCC1CCCC(C(NC)c2cccc(F)c2Cl)C1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is RCIAZAHXCXLLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-11-6-4-7-12(10-11)16(19-2)13-8-5-9-14(18)15(13)17/h5,8-9,11-12,16,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine?
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104992251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).