1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine

C18H26ClN — CID 106867858

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)cc1Cl)CC1CC2CCC1C2
InChIInChI=1S/C18H26ClN/c1-12-3-5-15(18(19)7-12)10-17(20-2)11-16-9-13-4-6-14(16)8-13/h3,5,7,13-14,16-17,20H,4,6,8-11H2,1-2H3
InChIKeyVCVVHVWQNHTHJH-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.61
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine (PubChem CID 106867858) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
PubChem CID106867858
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C)cc1Cl)CC1CC2CCC1C2
InChIInChI=1S/C18H26ClN/c1-12-3-5-15(18(19)7-12)10-17(20-2)11-16-9-13-4-6-14(16)8-13/h3,5,7,13-14,16-17,20H,4,6,8-11H2,1-2H3
InChIKeyVCVVHVWQNHTHJH-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine 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-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-fluorophenyl)-N-ethylpropan-2-amine
CID 79562830
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66447331
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
CID 105012696
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-chloro-2-fluorophenyl)-N-ethylpropan-2-amine
CID 82787851
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 106866952
1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019618
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methoxy-4-methylphenyl)-N-methylethanamine
CID 106792090

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine (CID 106867858) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(C)cc1Cl)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine?
The InChIKey is VCVVHVWQNHTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-12-3-5-15(18(19)7-12)10-17(20-2)11-16-9-13-4-6-14(16)8-13/h3,5,7,13-14,16-17,20H,4,6,8-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine has a molecular weight of 291.87 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 106867858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).