N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C19H26BrN3 — CID 143170343

IUPACN'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Br)c1)Cc1cccc(CN)c1
InChIInChI=1S/C19H26BrN3/c1-22(2)9-10-23(15-18-7-4-8-19(20)12-18)14-17-6-3-5-16(11-17)13-21/h3-8,11-12H,9-10,13-15,21H2,1-2H3
InChIKeyRNQHXXQHCZXHDK-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.47
Rot. Bonds8

About N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 143170343) has the molecular formula C19H26BrN3 and a molecular weight of 376.34 g/mol. Its IUPAC name is N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID143170343
Molecular FormulaC19H26BrN3
Molecular Weight376.34 g/mol
Exact Mass375.13
IUPAC NameN'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccc(Br)c1)Cc1cccc(CN)c1
InChIInChI=1S/C19H26BrN3/c1-22(2)9-10-23(15-18-7-4-8-19(20)12-18)14-17-6-3-5-16(11-17)13-21/h3-8,11-12H,9-10,13-15,21H2,1-2H3
InChIKeyRNQHXXQHCZXHDK-UHFFFAOYSA-N
XLogP3.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
N'-[(3-bromophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 782623
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
N'-[[3-(aminomethyl)phenyl]methyl]-N,N-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 143169889
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
[3-[(dibenzylamino)methyl]phenyl]methanamine
CID 39147916
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 143170343) is N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1cccc(Br)c1)Cc1cccc(CN)c1.
What is the InChIKey of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is RNQHXXQHCZXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3/c1-22(2)9-10-23(15-18-7-4-8-19(20)12-18)14-17-6-3-5-16(11-17)13-21/h3-8,11-12H,9-10,13-15,21H2,1-2H3.
What are the key properties of N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 376.34 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(aminomethyl)phenyl]methyl]-N'-[(3-bromophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 143170343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).