2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol

C15H24BrNO — CID 115251147

IUPAC2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-4-12(10-18)9-17-11-15(2,3)13-5-7-14(16)8-6-13/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyXWWWLKHLWALMLQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.33
Rot. Bonds7

About 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol

2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol (PubChem CID 115251147) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
PubChem CID115251147
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-4-12(10-18)9-17-11-15(2,3)13-5-7-14(16)8-6-13/h5-8,12,17-18H,4,9-11H2,1-3H3
InChIKeyXWWWLKHLWALMLQ-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251143
2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251149
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
2-(4-bromophenyl)-1-(2-methylpropylamino)butan-2-ol
CID 62774572
methyl 4-[[2-(4-bromophenyl)-2-methylpropyl]amino]butanoate
CID 115233542
2-[[[2-(4-fluorophenyl)-2-methylpropyl]amino]methyl]butanoic acid
CID 115250146

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol (CID 115251147) is 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol is CCC(CO)CNCC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The InChIKey is XWWWLKHLWALMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-12(10-18)9-17-11-15(2,3)13-5-7-14(16)8-6-13/h5-8,12,17-18H,4,9-11H2,1-3H3.
What are the key properties of 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115251147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).