1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine

C15H21ClFN — CID 102858759

IUPAC1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2F)CCCCC1
InChIInChI=1S/C15H21ClFN/c1-18-11-15(8-3-2-4-9-15)10-12-6-5-7-13(16)14(12)17/h5-7,18H,2-4,8-11H2,1H3
InChIKeyFULVGCOHZARILJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.19
Rot. Bonds4

About 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine

1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 102858759) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID102858759
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(Cc2cccc(Cl)c2F)CCCCC1
InChIInChI=1S/C15H21ClFN/c1-18-11-15(8-3-2-4-9-15)10-12-6-5-7-13(16)14(12)17/h5-7,18H,2-4,8-11H2,1H3
InChIKeyFULVGCOHZARILJ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 102859001
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 102859004
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine (CID 102858759) is 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine is CNCC1(Cc2cccc(Cl)c2F)CCCCC1.
What is the InChIKey of 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is FULVGCOHZARILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-11-15(8-3-2-4-9-15)10-12-6-5-7-13(16)14(12)17/h5-7,18H,2-4,8-11H2,1H3.
What are the key properties of 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine?
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 102858759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).