3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol

C16H17Br2NO2 — CID 107954980

IUPAC3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2/c1-21-12-5-2-10(3-6-12)14(9-19)16(20)13-7-4-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyHVWNCFFTYGDVFG-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.00
Rot. Bonds5

About 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol

3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 107954980) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID107954980
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H17Br2NO2/c1-21-12-5-2-10(3-6-12)14(9-19)16(20)13-7-4-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3
InChIKeyHVWNCFFTYGDVFG-UHFFFAOYSA-N
XLogP4.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(4,5-dibromothiophen-2-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 80538027
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(4-bromo-2-methoxyphenyl)-2-(3-methylphenyl)propan-1-ol
CID 115370283
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
3-amino-1-(2,4-dibromophenyl)-2-methylpropan-1-ol
CID 107955003
1-(2,4-dibromophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 107945123
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
2-(aminomethyl)-1-(2,4-dibromophenyl)butan-1-ol
CID 107955010

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol (CID 107954980) is 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)C(O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is HVWNCFFTYGDVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-21-12-5-2-10(3-6-12)14(9-19)16(20)13-7-4-11(17)8-15(13)18/h2-8,14,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 415.13 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 107954980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).