1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine

C15H21ClFN — CID 114886204

IUPAC1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)C1CCCCCC1
InChIInChI=1S/C15H21ClFN/c1-18-15(11-6-4-2-3-5-7-11)13-10-12(16)8-9-14(13)17/h8-11,15,18H,2-7H2,1H3
InChIKeyGIFPOLFRWBSWLY-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.71
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine

1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 114886204) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID114886204
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1F)C1CCCCCC1
InChIInChI=1S/C15H21ClFN/c1-18-15(11-6-4-2-3-5-7-11)13-10-12(16)8-9-14(13)17/h8-11,15,18H,2-7H2,1H3
InChIKeyGIFPOLFRWBSWLY-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclobutyl-N-methylmethanamine
CID 81045832
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424192
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine (CID 114886204) is 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1cc(Cl)ccc1F)C1CCCCCC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is GIFPOLFRWBSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-15(11-6-4-2-3-5-7-11)13-10-12(16)8-9-14(13)17/h8-11,15,18H,2-7H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 269.79 g/mol, XLogP of 4.71, 3 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)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 114886204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).