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

C18H22BrNO — CID 62617313

IUPAC3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(C)Cc1cccc(Br)c1)C(O)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(18(21)16-8-4-3-5-9-16)12-20(2)13-15-7-6-10-17(19)11-15/h3-11,14,18,21H,12-13H2,1-2H3
InChIKeyTYOSMYKREFIBEU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.25
Rot. Bonds6

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

3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62617313) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
PubChem CID62617313
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(C)Cc1cccc(Br)c1)C(O)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(18(21)16-8-4-3-5-9-16)12-20(2)13-15-7-6-10-17(19)11-15/h3-11,14,18,21H,12-13H2,1-2H3
InChIKeyTYOSMYKREFIBEU-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
3-[(5-bromothiophen-3-yl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol
CID 62618148
3-[(3-bromophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63072802
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
CID 44546740
[2-chloro-4-[[[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropyl]-methylamino]methyl]phenyl] hypoiodite
CID 142099027
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
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
3-[benzyl(methyl)amino]-1,1-diphenylpropan-2-ol
CID 12549048
3-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 61416059
(1R)-2-[benzyl(methyl)amino]-1-(3-iodophenyl)ethanol
CID 92857425

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol (CID 62617313) is 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol is CC(CN(C)Cc1cccc(Br)c1)C(O)c1ccccc1.
What is the InChIKey of 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is TYOSMYKREFIBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14(18(21)16-8-4-3-5-9-16)12-20(2)13-15-7-6-10-17(19)11-15/h3-11,14,18,21H,12-13H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol?
3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl-methylamino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62617313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).