4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline

C15H17BrN2 — CID 61416417

IUPAC4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)cc1
InChIInChI=1S/C15H17BrN2/c1-18(11-13-4-2-3-5-15(13)16)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3
InChIKeyRLRRREAYPGOTMJ-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.54
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline

4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline (PubChem CID 61416417) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
PubChem CID61416417
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
SMILESCN(Cc1ccccc1Br)c1ccc(CN)cc1
InChIInChI=1S/C15H17BrN2/c1-18(11-13-4-2-3-5-15(13)16)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3
InChIKeyRLRRREAYPGOTMJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-fluoro-N-methylaniline
CID 61416419
[3-bromo-4-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 102770348
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
CID 117041671
6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
CID 103937072
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
2-amino-5-[(2-bromophenyl)methyl-methylamino]benzonitrile
CID 115499199
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline (CID 61416417) is 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline is CN(Cc1ccccc1Br)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline?
The InChIKey is RLRRREAYPGOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18(11-13-4-2-3-5-15(13)16)14-8-6-12(10-17)7-9-14/h2-9H,10-11,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline?
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-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 4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 61416417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).