1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide

C19H24BrNO2 — CID 14010338

IUPAC1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide
SMILESBr.CC(C)(CCc1ccccc1)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H23NO2.BrH/c1-19(2,13-12-15-6-4-3-5-7-15)20-14-18(22)16-8-10-17(21)11-9-16;/h3-11,20-21H,12-14H2,1-2H3;1H
InChIKeyYIUGYGVLSKNBBH-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.15
Rot. Bonds7

About 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide

1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide (PubChem CID 14010338) has the molecular formula C19H24BrNO2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide
PubChem CID14010338
Molecular FormulaC19H24BrNO2
Molecular Weight378.31 g/mol
Exact Mass377.10
IUPAC Name1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide
SMILESBr.CC(C)(CCc1ccccc1)NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H23NO2.BrH/c1-19(2,13-12-15-6-4-3-5-7-15)20-14-18(22)16-8-10-17(21)11-9-16;/h3-11,20-21H,12-14H2,1-2H3;1H
InChIKeyYIUGYGVLSKNBBH-UHFFFAOYSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone
CID 70635987
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
N-(cyclopropylmethyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]acetamide
CID 115673265
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443
4-[3-(benzylamino)-4-hydroxy-3-methylbutyl]phenol
CID 61046174
ethylbenzene;4-hydroxybenzoic acid
CID 67658801
2-phenylethyl 4-hydroxybenzoate
CID 11977778
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide (CID 14010338) is 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide is Br.CC(C)(CCc1ccccc1)NCC(=O)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide?
The InChIKey is YIUGYGVLSKNBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.BrH/c1-19(2,13-12-15-6-4-3-5-7-15)20-14-18(22)16-8-10-17(21)11-9-16;/h3-11,20-21H,12-14H2,1-2H3;1H.
What are the key properties of 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide?
1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide has a molecular weight of 378.31 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanone;hydrobromide is sourced from PubChem (CID 14010338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).