1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine

C15H22ClN — CID 65400043

IUPAC1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H22ClN/c1-17-15(12-7-4-2-3-5-8-12)13-9-6-10-14(16)11-13/h6,9-12,15,17H,2-5,7-8H2,1H3
InChIKeyYCHSJSSUOAILTO-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.57
Rot. Bonds3

About 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine

1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 65400043) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID65400043
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H22ClN/c1-17-15(12-7-4-2-3-5-8-12)13-9-6-10-14(16)11-13/h6,9-12,15,17H,2-5,7-8H2,1H3
InChIKeyYCHSJSSUOAILTO-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
1-(3-chlorophenyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105106692
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(3-bromo-4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 113337112
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine (CID 65400043) is 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1cccc(Cl)c1)C1CCCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is YCHSJSSUOAILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-17-15(12-7-4-2-3-5-8-12)13-9-6-10-14(16)11-13/h6,9-12,15,17H,2-5,7-8H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine?
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 65400043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).