1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol

C18H22BrNO — CID 63489442

IUPAC1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCC(O)c2ccccc2Br)c(C)c1
InChIInChI=1S/C18H22BrNO/c1-13-8-9-17(14(2)12-13)20(3)11-10-18(21)15-6-4-5-7-16(15)19/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeySVXMKQHYEXZMMO-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.63
Rot. Bonds5

About 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol

1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol (PubChem CID 63489442) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
PubChem CID63489442
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)CCC(O)c2ccccc2Br)c(C)c1
InChIInChI=1S/C18H22BrNO/c1-13-8-9-17(14(2)12-13)20(3)11-10-18(21)15-6-4-5-7-16(15)19/h4-9,12,18,21H,10-11H2,1-3H3
InChIKeySVXMKQHYEXZMMO-UHFFFAOYSA-N
XLogP4.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
CID 107204738
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
2-(cyclopropylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64789779
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol (CID 63489442) is 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol is Cc1ccc(N(C)CCC(O)c2ccccc2Br)c(C)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol?
The InChIKey is SVXMKQHYEXZMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13-8-9-17(14(2)12-13)20(3)11-10-18(21)15-6-4-5-7-16(15)19/h4-9,12,18,21H,10-11H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol?
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 4.63, 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-(N,2,4-trimethylanilino)propan-1-ol is sourced from PubChem (CID 63489442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).