1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol

C12H19BrN2O — CID 61416140

IUPAC1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2O/c1-14-7-11(16)9-15(2)8-10-5-3-4-6-12(10)13/h3-6,11,14,16H,7-9H2,1-2H3
InChIKeyDQZYYYRSWUAGGV-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.46
Rot. Bonds6

About 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol

1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol (PubChem CID 61416140) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
PubChem CID61416140
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2O/c1-14-7-11(16)9-15(2)8-10-5-3-4-6-12(10)13/h3-6,11,14,16H,7-9H2,1-2H3
InChIKeyDQZYYYRSWUAGGV-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
1-(methylamino)-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 43564841
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103069628
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol (CID 61416140) is 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol is CNCC(O)CN(C)Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol?
The InChIKey is DQZYYYRSWUAGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-14-7-11(16)9-15(2)8-10-5-3-4-6-12(10)13/h3-6,11,14,16H,7-9H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol?
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 61416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).