N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine

C16H23N — CID 63448629

IUPACN-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(C)c(NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H23N/c1-10-6-11(2)16(12(3)7-10)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3
InChIKeyXMMKVFAYUMDDNB-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.21
Rot. Bonds2

About N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 63448629) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID63448629
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(C)c(NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H23N/c1-10-6-11(2)16(12(3)7-10)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3
InChIKeyXMMKVFAYUMDDNB-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2,4,6-trimethylbenzenesulfonamide
CID 11896359
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55193292
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dimethylphenyl)thiourea
CID 100592921
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60924563

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 63448629) is N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine is Cc1cc(C)c(NC2CC3CCC2C3)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is XMMKVFAYUMDDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-10-6-11(2)16(12(3)7-10)17-15-9-13-4-5-14(15)8-13/h6-7,13-15,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63448629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).