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

C14H19ClFN — CID 112651828

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(16)14(11)15/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyJSVDGVMQITVBBQ-UHFFFAOYSA-N
MW255.76 g/mol
LogP4.15
Rot. Bonds3

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

N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 112651828) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID112651828
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H19ClFN/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(16)14(11)15/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3
InChIKeyJSVDGVMQITVBBQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 112651828) is N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cccc(F)c2Cl)C1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is JSVDGVMQITVBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-4-2-6-12(8-10)17-9-11-5-3-7-13(16)14(11)15/h3,5,7,10,12,17H,2,4,6,8-9H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 112651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).