2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

C14H18ClN — CID 65020172

IUPAC2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2cccc(Cl)c2)CC2CCC1C2
InChIInChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)8-14(16)9-11-4-5-12(14)6-11/h1-3,7,11-12H,4-6,8-9,16H2
InChIKeyDJFUYLNNGHMWJE-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.40
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine

2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65020172) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65020172
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESNC1(Cc2cccc(Cl)c2)CC2CCC1C2
InChIInChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)8-14(16)9-11-4-5-12(14)6-11/h1-3,7,11-12H,4-6,8-9,16H2
InChIKeyDJFUYLNNGHMWJE-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-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

2-(2,3-dihydro-1H-inden-5-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020057
1-[(3-chlorophenyl)methyl]-2-cyclobutylcyclopropan-1-amine
CID 84699183
N-[[2-[(3-chlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63522034
2-[(3-bromo-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 65019830
7-[(3-chlorophenyl)methyl]bicyclo[4.1.0]heptan-7-amine
CID 79331073
4-butyl-1-[(3-chlorophenyl)methyl]cyclohexan-1-amine
CID 65020395
2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 106273551
2-[(3-chlorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466260
3-[(3-chlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538936
2-[(3-chlorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401361
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
3-[(3-chlorophenyl)methyl]thietan-3-ol
CID 83689574

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 65020172) is 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine is NC1(Cc2cccc(Cl)c2)CC2CCC1C2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DJFUYLNNGHMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-3-1-2-10(7-13)8-14(16)9-11-4-5-12(14)6-11/h1-3,7,11-12H,4-6,8-9,16H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine?
2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 235.76 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65020172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).