1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol

C16H18BrNO2 — CID 62871336

IUPAC1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
SMILESCOc1ccc(NCC(O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2/c1-11-8-14(20-2)6-7-15(11)18-10-16(19)12-4-3-5-13(17)9-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyXXILJPSIQUQHIW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol

1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol (PubChem CID 62871336) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
PubChem CID62871336
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol
SMILESCOc1ccc(NCC(O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H18BrNO2/c1-11-8-14(20-2)6-7-15(11)18-10-16(19)12-4-3-5-13(17)9-12/h3-9,16,18-19H,10H2,1-2H3
InChIKeyXXILJPSIQUQHIW-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 60896340
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103
1-(3-bromophenyl)-2-(4-fluoro-2-methylanilino)ethanol
CID 60900314
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(3-bromophenyl)-2-(2-methoxy-5-methylanilino)ethanol
CID 60898693
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-4-methylbenzonitrile
CID 62103746
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
2-(4-bromo-2-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 81288515
1-(3-bromophenyl)-2-(2-ethoxyanilino)ethanol
CID 60896322

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol (CID 62871336) is 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol is COc1ccc(NCC(O)c2cccc(Br)c2)c(C)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol?
The InChIKey is XXILJPSIQUQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-8-14(20-2)6-7-15(11)18-10-16(19)12-4-3-5-13(17)9-12/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol?
1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-methoxy-2-methylanilino)ethanol is sourced from PubChem (CID 62871336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).