3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol

C16H18BrNO2 — CID 65185350

IUPAC3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-20-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17/h2-9,14,16,19H,10,18H2,1H3
InChIKeyBKOCJYHQBUCVHW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.23
Rot. Bonds5

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

3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 65185350) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID65185350
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(CN)C(O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-20-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17/h2-9,14,16,19H,10,18H2,1H3
InChIKeyBKOCJYHQBUCVHW-UHFFFAOYSA-N
XLogP3.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2,4-dibromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 107954980
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
3-amino-1-(4,5-dibromothiophen-2-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 80538027
3-amino-2-(4-bromophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186404
3-amino-1-(4-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 115370271
3-amino-1-(2-bromophenyl)-2-(2-chlorophenyl)propan-1-ol
CID 65184614
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
3-amino-2-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79212579
3-amino-1-(2-bromophenyl)-2-methylpropan-1-ol
CID 60733986
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol (CID 65185350) is 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(CN)C(O)c2ccccc2Br)cc1.
What is the InChIKey of 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is BKOCJYHQBUCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17/h2-9,14,16,19H,10,18H2,1H3.
What are the key properties of 3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol?
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.23, 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-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65185350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).