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

C16H23N — CID 55198635

IUPACN-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)c1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C16H23N/c1-11(2)13-4-3-5-15(10-13)17-16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16-17H,6-9H2,1-2H3
InChIKeyRSBVQXQLSZDOCG-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.41
Rot. Bonds3

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

N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 55198635) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID55198635
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)c1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C16H23N/c1-11(2)13-4-3-5-15(10-13)17-16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16-17H,6-9H2,1-2H3
InChIKeyRSBVQXQLSZDOCG-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
CID 61309353
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
trans-(1S,2S)-2-(3-propan-2-ylanilino)cyclohexan-1-ol
CID 102730989
N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
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
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 55198635) is N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine is CC(C)c1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RSBVQXQLSZDOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11(2)13-4-3-5-15(10-13)17-16-9-12-6-7-14(16)8-12/h3-5,10-12,14,16-17H,6-9H2,1-2H3.
What are the key properties of N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55198635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).