1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol

C16H18BrNO — CID 53486765

IUPAC1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO/c1-12-2-4-13(5-3-12)10-16(19)11-18-15-8-6-14(17)7-9-15/h2-9,16,18-19H,10-11H2,1H3
InChIKeyYBOFPBIKGCWPIA-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol

1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol (PubChem CID 53486765) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
PubChem CID53486765
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrNO/c1-12-2-4-13(5-3-12)10-16(19)11-18-15-8-6-14(17)7-9-15/h2-9,16,18-19H,10-11H2,1H3
InChIKeyYBOFPBIKGCWPIA-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichloroanilino)-3-(4-methylphenyl)propan-2-ol
CID 102465163
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
(2S)-1-(4-methylanilino)propan-2-ol
CID 39236030
1-(4-bromoanilino)-3-(diethylamino)propan-2-ol
CID 60897805
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
3-[4-[(4-methylphenyl)methoxy]anilino]propane-1,2-diol
CID 168595338
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
4-bromo-N-(2-methylbutyl)aniline
CID 43201294
(4-bromophenyl)methyl-tris(4-methylphenyl)phosphanium bromide
CID 18958202

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol (CID 53486765) is 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is YBOFPBIKGCWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-2-4-13(5-3-12)10-16(19)11-18-15-8-6-14(17)7-9-15/h2-9,16,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol?
1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 320.23 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 53486765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).