N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline

C18H27BrN2 — CID 63682139

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27BrN2/c1-3-20-11-15-6-7-17(19)10-18(15)21(2)12-16-9-13-4-5-14(16)8-13/h6-7,10,13-14,16,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyUNKUIMMVRUMAHH-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.43
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline (PubChem CID 63682139) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
PubChem CID63682139
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
SMILESCCNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27BrN2/c1-3-20-11-15-6-7-17(19)10-18(15)21(2)12-16-9-13-4-5-14(16)8-13/h6-7,10,13-14,16,20H,3-5,8-9,11-12H2,1-2H3
InChIKeyUNKUIMMVRUMAHH-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
CID 63683349
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81253943
5-bromo-N-(cyclohexylmethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 63552851
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-bromo-N'-hydroxybenzenecarboximidamide
CID 114892570
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]methyl]ethanamine
CID 115961161
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
5-bromo-N-cyclohexyl-2-(ethylaminomethyl)-N-methylaniline
CID 43280842
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107380276
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-fluoro-N-methylaniline
CID 107532386
2-[5-bromo-2-(ethylaminomethyl)-N-methylanilino]-N-methylacetamide
CID 43375159

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline (CID 63682139) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline is CCNCc1ccc(Br)cc1N(C)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline?
The InChIKey is UNKUIMMVRUMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-3-20-11-15-6-7-17(19)10-18(15)21(2)12-16-9-13-4-5-14(16)8-13/h6-7,10,13-14,16,20H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline has a molecular weight of 351.33 g/mol, XLogP of 4.43, 6 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-2-(ethylaminomethyl)-N-methylaniline is sourced from PubChem (CID 63682139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).