N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine

C15H21N — CID 61309908

IUPACN-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(NC2CC3CCC2C3)cc1C
InChIInChI=1S/C15H21N/c1-10-3-6-14(7-11(10)2)16-15-9-12-4-5-13(15)8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3
InChIKeyQSBSPZAVURKYCO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.90
Rot. Bonds2

About N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 61309908) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID61309908
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccc(NC2CC3CCC2C3)cc1C
InChIInChI=1S/C15H21N/c1-10-3-6-14(7-11(10)2)16-15-9-12-4-5-13(15)8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3
InChIKeyQSBSPZAVURKYCO-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
5-(2-bicyclo[2.2.1]heptanylamino)-2-methylisoindole-1,3-dione
CID 61310513
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 61309908) is N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1ccc(NC2CC3CCC2C3)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QSBSPZAVURKYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10-3-6-14(7-11(10)2)16-15-9-12-4-5-13(15)8-12/h3,6-7,12-13,15-16H,4-5,8-9H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).