2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine

C16H23N — CID 113383478

IUPAC2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H23N/c1-10-4-3-5-14(11(10)2)16(17)15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16H,6-9,17H2,1-2H3
InChIKeyHBHLMFVRZMOYLI-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.74
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine

2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine (PubChem CID 113383478) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
PubChem CID113383478
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC3CCC2C3)c1C
InChIInChI=1S/C16H23N/c1-10-4-3-5-14(11(10)2)16(17)15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16H,6-9,17H2,1-2H3
InChIKeyHBHLMFVRZMOYLI-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
CID 104988996
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 114246839
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2,3-dimethylphenyl)urea
CID 6465340
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine (CID 113383478) is 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)C2CC3CCC2C3)c1C.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine?
The InChIKey is HBHLMFVRZMOYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10-4-3-5-14(11(10)2)16(17)15-9-12-6-7-13(15)8-12/h3-5,12-13,15-16H,6-9,17H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine?
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine has a molecular weight of 229.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 113383478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).