2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline

C12H19BrN2 — CID 114889459

IUPAC2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
SMILESCCC(C)N(C)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2/c1-4-9(2)15(3)12-6-5-11(13)7-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3
InChIKeyMTFVXSZRDQWCGQ-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.14
Rot. Bonds4

About 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline

2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline (PubChem CID 114889459) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
PubChem CID114889459
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline
SMILESCCC(C)N(C)c1ccc(Br)cc1CN
InChIInChI=1S/C12H19BrN2/c1-4-9(2)15(3)12-6-5-11(13)7-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3
InChIKeyMTFVXSZRDQWCGQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-bromo-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 114889558
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
2-(2-aminoethyl)-4-bromo-N-methyl-N-pentan-3-ylaniline
CID 114061936
5-bromo-N-butan-2-yl-N-methyl-2-(methylaminomethyl)aniline
CID 43281950
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
4-(1-aminoethyl)-2-bromo-N-butan-2-yl-N-methylaniline
CID 62908844
2-(bromomethyl)-N-butan-2-yl-4-fluoro-N-methylaniline
CID 107080047
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
4-bromo-1-N-methyl-1-N-pentan-3-ylbenzene-1,2-diamine
CID 43570912

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline (CID 114889459) is 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline is CCC(C)N(C)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline?
The InChIKey is MTFVXSZRDQWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-4-9(2)15(3)12-6-5-11(13)7-10(12)8-14/h5-7,9H,4,8,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline?
2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline has a molecular weight of 271.20 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-butan-2-yl-N-methylaniline is sourced from PubChem (CID 114889459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).