2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline

C15H21ClFN — CID 63539775

IUPAC2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccc(F)cc2CCl)C1
InChIInChI=1S/C15H21ClFN/c1-11-4-3-5-14(8-11)18(2)15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14H,3-5,8,10H2,1-2H3
InChIKeyKWPGOYJMIZSXPA-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.58
Rot. Bonds3

About 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline

2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 63539775) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID63539775
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
SMILESCC1CCCC(N(C)c2ccc(F)cc2CCl)C1
InChIInChI=1S/C15H21ClFN/c1-11-4-3-5-14(8-11)18(2)15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14H,3-5,8,10H2,1-2H3
InChIKeyKWPGOYJMIZSXPA-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 114846499
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 43313518
N-[2-(chloromethyl)-4-fluorophenyl]-N-methylthiolan-3-amine
CID 43313555
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
4-chloro-N-methyl-2-(methylaminomethyl)-N-(3-methylcyclohexyl)aniline
CID 114849226
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 115506720
[2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 61446202
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline (CID 63539775) is 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline is CC1CCCC(N(C)c2ccc(F)cc2CCl)C1.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is KWPGOYJMIZSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-4-3-5-14(8-11)18(2)15-7-6-13(17)9-12(15)10-16/h6-7,9,11,14H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline?
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 269.79 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 63539775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).