3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline

C14H23BrN2O — CID 102813754

IUPAC3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
SMILESCCC(C)N(CCOC)c1cc(Br)cc(CN)c1
InChIInChI=1S/C14H23BrN2O/c1-4-11(2)17(5-6-18-3)14-8-12(10-16)7-13(15)9-14/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyFBFJSUXVDRIIDP-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.16
Rot. Bonds7

About 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline

3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline (PubChem CID 102813754) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
PubChem CID102813754
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline
SMILESCCC(C)N(CCOC)c1cc(Br)cc(CN)c1
InChIInChI=1S/C14H23BrN2O/c1-4-11(2)17(5-6-18-3)14-8-12(10-16)7-13(15)9-14/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyFBFJSUXVDRIIDP-UHFFFAOYSA-N
XLogP3.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(bromomethyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 114062500
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
N-[[4-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 55001040
2-(aminomethyl)-5-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005537
4-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082045
3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 102813782
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
5-(aminomethyl)-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylpyridin-2-amine
CID 80630796
6-(1-aminoethyl)-N-butan-2-yl-N-(2-methoxyethyl)pyridin-3-amine
CID 83122259
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline (CID 102813754) is 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline is CCC(C)N(CCOC)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline?
The InChIKey is FBFJSUXVDRIIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-11(2)17(5-6-18-3)14-8-12(10-16)7-13(15)9-14/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline?
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline has a molecular weight of 315.26 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 102813754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).