3-[amino-(2-bromophenyl)methyl]-N-methylaniline

C14H15BrN2 — CID 116936726

IUPAC3-[amino-(2-bromophenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-17-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15/h2-9,14,17H,16H2,1H3
InChIKeyWMXPKVFJGFWVGV-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.54
Rot. Bonds3

About 3-[amino-(2-bromophenyl)methyl]-N-methylaniline

3-[amino-(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 116936726) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 3-[amino-(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[amino-(2-bromophenyl)methyl]-N-methylaniline
PubChem CID116936726
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name3-[amino-(2-bromophenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-17-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15/h2-9,14,17H,16H2,1H3
InChIKeyWMXPKVFJGFWVGV-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116936668
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[amino-(2-bromophenyl)methyl]-N-methylaniline (CID 116936726) is 3-[amino-(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[amino-(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[amino-(2-bromophenyl)methyl]-N-methylaniline is CNc1cccc(C(N)c2ccccc2Br)c1.
What is the InChIKey of 3-[amino-(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is WMXPKVFJGFWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-17-11-6-4-5-10(9-11)14(16)12-7-2-3-8-13(12)15/h2-9,14,17H,16H2,1H3.
What are the key properties of 3-[amino-(2-bromophenyl)methyl]-N-methylaniline?
3-[amino-(2-bromophenyl)methyl]-N-methylaniline has a molecular weight of 291.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116936726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).