1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H21ClFN — CID 103047881

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-6-13(16)3-4-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyOZKROFIAYIICGM-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.18
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 103047881) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID103047881
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(N)(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-6-13(16)3-4-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3
InChIKeyOZKROFIAYIICGM-UHFFFAOYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 114012589
1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
4-butyl-1-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050990
1-[(5-chloro-2-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 103047644
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 79702457
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 103051008
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
3-(bromomethyl)-3-[(5-chloro-2-fluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 103051394
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 103047881) is 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(N)(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is OZKROFIAYIICGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-10-5-11(2)8-15(18,7-10)9-12-6-13(16)3-4-14(12)17/h3-4,6,10-11H,5,7-9,18H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 269.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103047881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).