N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline

C15H17BrN2 — CID 115213189

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-18(15-4-2-3-14(16)9-15)11-13-7-5-12(10-17)6-8-13/h2-9H,10-11,17H2,1H3
InChIKeyRVPUMDAHEXKNOI-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.54
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline

N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline (PubChem CID 115213189) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
PubChem CID115213189
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline
SMILESCN(Cc1ccc(CN)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H17BrN2/c1-18(15-4-2-3-14(16)9-15)11-13-7-5-12(10-17)6-8-13/h2-9H,10-11,17H2,1H3
InChIKeyRVPUMDAHEXKNOI-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
4-(2-aminoethyl)-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 63786530
3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylaniline
CID 115366742
3-bromo-N-(2-chloroethyl)-N-methylaniline
CID 82119005
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline (CID 115213189) is N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline is CN(Cc1ccc(CN)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline?
The InChIKey is RVPUMDAHEXKNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18(15-4-2-3-14(16)9-15)11-13-7-5-12(10-17)6-8-13/h2-9H,10-11,17H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline?
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline has a molecular weight of 305.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N-methylaniline is sourced from PubChem (CID 115213189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).