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

C11H16BrNO — CID 61416066

IUPAC1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyZTAICBRNBFSMDK-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.26
Rot. Bonds4

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

1-[(3-bromophenyl)methyl-methylamino]propan-2-ol (PubChem CID 61416066) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
PubChem CID61416066
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
SMILESCC(O)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyZTAICBRNBFSMDK-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62617313
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
CID 44546740
3-[(3-bromophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63072802
3-amino-4-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 115241775
1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81102377
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369295
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
1-[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 22600659
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol (CID 61416066) is 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol is CC(O)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is ZTAICBRNBFSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-9(14)7-13(2)8-10-4-3-5-11(12)6-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol?
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 61416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).