1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine

C16H24ClN — CID 107103005

IUPAC1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1C)C1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-12-14(10-7-11-15(12)17)16(18-2)13-8-5-3-4-6-9-13/h7,10-11,13,16,18H,3-6,8-9H2,1-2H3
InChIKeyFSMWTEDAAISLQJ-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.88
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine

1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 107103005) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID107103005
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1C)C1CCCCCC1
InChIInChI=1S/C16H24ClN/c1-12-14(10-7-11-15(12)17)16(18-2)13-8-5-3-4-6-9-13/h7,10-11,13,16,18H,3-6,8-9H2,1-2H3
InChIKeyFSMWTEDAAISLQJ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747
1-(3-bromo-2-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 114981468
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-cycloheptyl-1-(2-ethylphenyl)-N-methylmethanamine
CID 105027920
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
1-(1-benzothiophen-7-yl)-1-cyclohexyl-N-methylmethanamine
CID 81153893
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine (CID 107103005) is 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1cccc(Cl)c1C)C1CCCCCC1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is FSMWTEDAAISLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-14(10-7-11-15(12)17)16(18-2)13-8-5-3-4-6-9-13/h7,10-11,13,16,18H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine?
1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 265.83 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 107103005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).