1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine

C12H19BrN2 — CID 62633676

IUPAC1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-10(14-2)8-15(3)9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3
InChIKeyZIWLIMBFOANXHB-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.49
Rot. Bonds5

About 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine

1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 62633676) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID62633676
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-10(14-2)8-15(3)9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3
InChIKeyZIWLIMBFOANXHB-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103069628
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine (CID 62633676) is 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine is CNC(C)CN(C)Cc1ccccc1Br.
What is the InChIKey of 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is ZIWLIMBFOANXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-10(14-2)8-15(3)9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).