2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline

C15H16BrClN2 — CID 63081281

IUPAC2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
SMILESCN(Cc1cccc(Br)c1)c1cc(Cl)ccc1CN
InChIInChI=1S/C15H16BrClN2/c1-19(10-11-3-2-4-13(16)7-11)15-8-14(17)6-5-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyXVIBMWQCXXJVBX-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.20
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline

2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline (PubChem CID 63081281) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
PubChem CID63081281
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline
SMILESCN(Cc1cccc(Br)c1)c1cc(Cl)ccc1CN
InChIInChI=1S/C15H16BrClN2/c1-19(10-11-3-2-4-13(16)7-11)15-8-14(17)6-5-12(15)9-18/h2-8H,9-10,18H2,1H3
InChIKeyXVIBMWQCXXJVBX-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(3-bromophenyl)methyl]-2,3-difluoro-N-methylaniline
CID 107932774
[2-[(3-bromophenyl)methyl-methylamino]-5-chlorophenyl]methanol
CID 114845322
2-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylaniline
CID 63083687
4-(aminomethyl)-3-bromo-N-[(3-chlorophenyl)methyl]-2-fluoro-N-methylaniline
CID 107532224
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-(2-aminopropyl)-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114861661
4-bromo-1-N-[(3-bromophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 61415618
1-N-[(3-bromophenyl)methyl]-4-chloro-1-N,5-dimethylbenzene-1,2-diamine
CID 115126569
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870
5-chloro-2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 114846461
4-(2-aminoethyl)-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 63786530
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline (CID 63081281) is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline is CN(Cc1cccc(Br)c1)c1cc(Cl)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline?
The InChIKey is XVIBMWQCXXJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-19(10-11-3-2-4-13(16)7-11)15-8-14(17)6-5-12(15)9-18/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline?
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline has a molecular weight of 339.66 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]-5-chloro-N-methylaniline is sourced from PubChem (CID 63081281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).