1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

C15H24BrNO — CID 62624752

IUPAC1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Br)CC(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-15(2,3)11-17(4)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18H,9-11H2,1-4H3
InChIKeyRCOQYLSHXSYYME-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol

1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (PubChem CID 62624752) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
PubChem CID62624752
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1ccccc1Br)CC(C)(C)C
InChIInChI=1S/C15H24BrNO/c1-15(2,3)11-17(4)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18H,9-11H2,1-4H3
InChIKeyRCOQYLSHXSYYME-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-(2,2-dimethylpropyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63495598
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
CID 107204738
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
3-[2,2-dimethylpropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126379
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol (CID 62624752) is 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is CN(CCC(O)c1ccccc1Br)CC(C)(C)C.
What is the InChIKey of 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
The InChIKey is RCOQYLSHXSYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-15(2,3)11-17(4)10-9-14(18)12-7-5-6-8-13(12)16/h5-8,14,18H,9-11H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol?
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 62624752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).