2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine

C14H20N2 — CID 115550589

IUPAC2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CC2CCC1C2
InChIInChI=1S/C14H20N2/c1-9-3-2-4-12(15)14(9)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,16H,5-8,15H2,1H3
InChIKeySZGGFGVEPMSFHB-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.18
Rot. Bonds2

About 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine

2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550589) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
PubChem CID115550589
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
SMILESCc1cccc(N)c1NC1CC2CCC1C2
InChIInChI=1S/C14H20N2/c1-9-3-2-4-12(15)14(9)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,16H,5-8,15H2,1H3
InChIKeySZGGFGVEPMSFHB-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
3-(2-amino-6-methylanilino)cyclobutan-1-ol
CID 115550663
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-N-(2-ethylcyclohexyl)-3-methylbenzene-1,2-diamine
CID 115550239
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
4-(2-amino-6-methylanilino)cyclohexan-1-ol
CID 104966691
1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine
CID 66082516
3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 104540446

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine (CID 115550589) is 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine is Cc1cccc(N)c1NC1CC2CCC1C2.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine?
The InChIKey is SZGGFGVEPMSFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-3-2-4-12(15)14(9)16-13-8-10-5-6-11(13)7-10/h2-4,10-11,13,16H,5-8,15H2,1H3.
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine?
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine has a molecular weight of 216.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).