3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

C14H19ClFN — CID 102862060

IUPAC3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C14H19ClFN/c1-17-12-6-2-4-10(9-12)8-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyRCHAMZRLEFSPFW-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine

3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102862060) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102862060
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C14H19ClFN/c1-17-12-6-2-4-10(9-12)8-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyRCHAMZRLEFSPFW-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 114860029
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
3-[(4-chloro-3-fluorophenyl)methyl]-N-methylcycloheptan-1-amine
CID 107888168
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
1-(3-chloro-2-fluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 102857046
[2-(3-chloro-2-fluorophenyl)-1-cycloheptylethyl]hydrazine
CID 105264361
3-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 64505305
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
3-[(3-chloro-4-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 103041633
1-(3-chloro-2-fluorophenyl)-3-cyclobutylpropan-2-amine
CID 82806050

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine (CID 102862060) is 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is CNC1CCCC(Cc2cccc(Cl)c2F)C1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is RCHAMZRLEFSPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-17-12-6-2-4-10(9-12)8-11-5-3-7-13(15)14(11)16/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine?
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102862060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).