4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol

C17H20BrNO2 — CID 11552038

IUPAC4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol
SMILESNCCC(O)(COCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c18-16-9-5-4-6-14(16)12-21-13-17(20,10-11-19)15-7-2-1-3-8-15/h1-9,20H,10-13,19H2
InChIKeyHEJGPLGATDIVKE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.20
Rot. Bonds7

About 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol

4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol (PubChem CID 11552038) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol
PubChem CID11552038
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol
SMILESNCCC(O)(COCc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H20BrNO2/c18-16-9-5-4-6-14(16)12-21-13-17(20,10-11-19)15-7-2-1-3-8-15/h1-9,20H,10-13,19H2
InChIKeyHEJGPLGATDIVKE-UHFFFAOYSA-N
XLogP3.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
4-amino-1-[(4-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11581094
(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
CID 11625637
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
CID 11565688
1-amino-3-phenylpentan-3-ol
CID 79006155
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
1-bromo-2-[2-(2-bromophenyl)ethoxymethyl]benzene
CID 67392887
4-[(2-bromophenyl)methoxymethyl]-3-fluorobenzoic acid
CID 82825751
(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 82823326
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
1-amino-5-[tert-butyl(dimethyl)silyl]oxy-3-phenylpentan-3-ol
CID 59835981

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol?
The IUPAC name of 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol (CID 11552038) is 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol?
The canonical SMILES for 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol is NCCC(O)(COCc1ccccc1Br)c1ccccc1.
What is the InChIKey of 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol?
The InChIKey is HEJGPLGATDIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-16-9-5-4-6-14(16)12-21-13-17(20,10-11-19)15-7-2-1-3-8-15/h1-9,20H,10-13,19H2.
What are the key properties of 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol?
4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol has a molecular weight of 350.26 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol is sourced from PubChem (CID 11552038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).