N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline

C17H25BrN2 — CID 63683349

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H25BrN2/c1-19-10-14-5-6-16(18)9-17(14)20(2)11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyWHYGGEYYFXEGNY-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.04
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline (PubChem CID 63683349) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
PubChem CID63683349
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
SMILESCNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C17H25BrN2/c1-19-10-14-5-6-16(18)9-17(14)20(2)11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyWHYGGEYYFXEGNY-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
CID 115960993
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81253943
N'-[5-bromo-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63700074
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
5-bromo-2-(chloromethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63865534
2-[5-bromo-N-cyclopropyl-2-(methylaminomethyl)anilino]ethanol
CID 54994722
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63684827
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63682509

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline (CID 63683349) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline is CNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline?
The InChIKey is WHYGGEYYFXEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-19-10-14-5-6-16(18)9-17(14)20(2)11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline has a molecular weight of 337.31 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline is sourced from PubChem (CID 63683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).