3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol

C15H24BrNO — CID 115135576

IUPAC3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-14(2,11-18)9-17-10-15(3,4)12-5-7-13(16)8-6-12/h5-8,17-18H,9-11H2,1-4H3
InChIKeyNZRYBMOOGLGOER-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.33
Rot. Bonds6

About 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol

3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115135576) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115135576
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO/c1-14(2,11-18)9-17-10-15(3,4)12-5-7-13(16)8-6-12/h5-8,17-18H,9-11H2,1-4H3
InChIKeyNZRYBMOOGLGOER-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 81411129
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
2-[[2-(4-bromophenyl)-2-methylpropyl]amino]ethanethiol
CID 115224463
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
N'-[2-(4-bromophenyl)-2-methylpropyl]-2,2-dimethylbutane-1,4-diamine
CID 115205088
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
methyl 4-[[2-(4-bromophenyl)-2-methylpropyl]amino]butanoate
CID 115233542
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
1-[2-(4-bromophenyl)-2-methylpropyl]-2,3-dimethylguanidine
CID 110920080
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
CID 115229593
3-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]benzoic acid
CID 122030356

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol (CID 115135576) is 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is NZRYBMOOGLGOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-14(2,11-18)9-17-10-15(3,4)12-5-7-13(16)8-6-12/h5-8,17-18H,9-11H2,1-4H3.
What are the key properties of 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).