3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol

C17H20BrNO2 — CID 65187873

IUPAC3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccccc1C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-21-16-9-4-3-8-14(16)17(20)15(11-19)12-6-5-7-13(18)10-12/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyDUUYEKHMQUTQMH-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.62
Rot. Bonds6

About 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol (PubChem CID 65187873) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
PubChem CID65187873
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
SMILESCCOc1ccccc1C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-2-21-16-9-4-3-8-14(16)17(20)15(11-19)12-6-5-7-13(18)10-12/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyDUUYEKHMQUTQMH-UHFFFAOYSA-N
XLogP3.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185733
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol (CID 65187873) is 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol is CCOc1ccccc1C(O)C(CN)c1cccc(Br)c1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol?
The InChIKey is DUUYEKHMQUTQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-2-21-16-9-4-3-8-14(16)17(20)15(11-19)12-6-5-7-13(18)10-12/h3-10,15,17,20H,2,11,19H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol is sourced from PubChem (CID 65187873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).