3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol

C14H22BrNO — CID 81411129

IUPAC3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-13(2,10-17)9-16-14(3,4)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3
InChIKeyYAZHDYCCZCQTQA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.29
Rot. Bonds5

About 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol

3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81411129) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
PubChem CID81411129
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-13(2,10-17)9-16-14(3,4)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3
InChIKeyYAZHDYCCZCQTQA-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-2,2-dimethylpropan-1-ol
CID 115135576
3-(4-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414174
3-[2-(4-bromophenoxy)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293890
2-[4-[[2-(4-bromophenyl)propan-2-ylamino]methyl]triazol-1-yl]ethanol
CID 66268104
2-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789418
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
3-[(6-bromonaphthalen-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 81411268
2-(4-bromophenyl)-N-[(4-nitrophenyl)methyl]propan-2-amine
CID 43740669
6-[[2-(4-bromophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79784008
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
2-(4-bromophenyl)-N-(1H-pyrrol-2-ylmethyl)propan-2-amine
CID 62327708
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol (CID 81411129) is 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is YAZHDYCCZCQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-13(2,10-17)9-16-14(3,4)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3.
What are the key properties of 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol?
3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 300.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).