3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline

C15H17BrN2 — CID 116936708

IUPAC3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2cc(Br)ccc2C)c1
InChIInChI=1S/C15H17BrN2/c1-10-6-7-12(16)9-14(10)15(17)11-4-3-5-13(8-11)18-2/h3-9,15,18H,17H2,1-2H3
InChIKeyPXBSYUSPVSUEKS-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.85
Rot. Bonds3

About 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline

3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline (PubChem CID 116936708) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
PubChem CID116936708
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
SMILESCNc1cccc(C(N)c2cc(Br)ccc2C)c1
InChIInChI=1S/C15H17BrN2/c1-10-6-7-12(16)9-14(10)15(17)11-4-3-5-13(8-11)18-2/h3-9,15,18H,17H2,1-2H3
InChIKeyPXBSYUSPVSUEKS-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[amino-(2-bromophenyl)methyl]-N-methylaniline
CID 116936726
3-[amino-(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116936668
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-N-methylaniline
CID 116951972
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
3-[(5-bromo-2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951959
3-[amino(1H-indol-3-yl)methyl]-N-methylaniline
CID 116936685
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
3-(1-amino-2,2-dimethylpropyl)-N-methylaniline
CID 116936648

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline?
The IUPAC name of 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline (CID 116936708) is 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline is CNc1cccc(C(N)c2cc(Br)ccc2C)c1.
What is the InChIKey of 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline?
The InChIKey is PXBSYUSPVSUEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-10-6-7-12(16)9-14(10)15(17)11-4-3-5-13(8-11)18-2/h3-9,15,18H,17H2,1-2H3.
What are the key properties of 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline?
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline has a molecular weight of 305.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).