N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine

C16H23N — CID 55193292

IUPACN-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cccc(C)c1NC1CC2CCC1C2
InChIInChI=1S/C16H23N/c1-3-13-6-4-5-11(2)16(13)17-15-10-12-7-8-14(15)9-12/h4-6,12,14-15,17H,3,7-10H2,1-2H3
InChIKeyLDDLGWJRUORWCH-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.16
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine

N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 55193292) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID55193292
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCCc1cccc(C)c1NC1CC2CCC1C2
InChIInChI=1S/C16H23N/c1-3-13-6-4-5-11(2)16(13)17-15-10-12-7-8-14(15)9-12/h4-6,12,14-15,17H,3,7-10H2,1-2H3
InChIKeyLDDLGWJRUORWCH-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
2-(2-ethyl-6-methylanilino)cyclopropane-1-carboxylic acid
CID 117027632
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
1-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea
CID 21174233
(3R,4R)-4-(2-ethyl-6-methylanilino)-1,1-dioxothiolan-3-ol
CID 1413789
2-ethyl-N-(4-methoxycyclohexyl)-6-methylaniline
CID 113414373
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine (CID 55193292) is N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine is CCc1cccc(C)c1NC1CC2CCC1C2.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is LDDLGWJRUORWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-13-6-4-5-11(2)16(13)17-15-10-12-7-8-14(15)9-12/h4-6,12,14-15,17H,3,7-10H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine?
N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55193292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).