N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

C13H19BrN2 — CID 103069628

IUPACN-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-11(8-15-2)9-16(3)10-12-6-4-5-7-13(12)14/h4-7,15H,1,8-10H2,2-3H3
InChIKeyZPHQEMFNXWSBMA-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.66
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (PubChem CID 103069628) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
PubChem CID103069628
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)Cc1ccccc1Br
InChIInChI=1S/C13H19BrN2/c1-11(8-15-2)9-16(3)10-12-6-4-5-7-13(12)14/h4-7,15H,1,8-10H2,2-3H3
InChIKeyZPHQEMFNXWSBMA-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
4-[(2-bromophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 77006236
2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 116679583
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-[(2-bromophenyl)methyl]-2-methylidenebutan-1-amine
CID 66045694

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (CID 103069628) is N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The InChIKey is ZPHQEMFNXWSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-11(8-15-2)9-16(3)10-12-6-4-5-7-13(12)14/h4-7,15H,1,8-10H2,2-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine has a molecular weight of 283.21 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103069628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).