N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine

C15H21N — CID 54595835

IUPACN-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C15H21N/c1-2-11-4-3-5-14(9-11)16-15-10-12-6-7-13(15)8-12/h3-5,9,12-13,15-16H,2,6-8,10H2,1H3
InChIKeyPMVOQSYHJNMIEO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.85
Rot. Bonds3

About N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 54595835) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID54595835
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C15H21N/c1-2-11-4-3-5-14(9-11)16-15-10-12-6-7-13(15)8-12/h3-5,9,12-13,15-16H,2,6-8,10H2,1H3
InChIKeyPMVOQSYHJNMIEO-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
CID 61309718
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
N-cyclohexyl-3-ethylaniline
CID 11009024
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 54595835) is N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine is CCc1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is PMVOQSYHJNMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-11-4-3-5-14(9-11)16-15-10-12-6-7-13(15)8-12/h3-5,9,12-13,15-16H,2,6-8,10H2,1H3.
What are the key properties of N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 54595835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).