1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol

C16H17BrClNO2 — CID 60897419

IUPAC1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESOC(CNc1ccccc1Br)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO2/c17-15-3-1-2-4-16(15)19-9-14(20)11-21-10-12-5-7-13(18)8-6-12/h1-8,14,19-20H,9-11H2
InChIKeyHGZBTJOSQWSDSA-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.09
Rot. Bonds7

About 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol

1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol (PubChem CID 60897419) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
PubChem CID60897419
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESOC(CNc1ccccc1Br)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H17BrClNO2/c17-15-3-1-2-4-16(15)19-9-14(20)11-21-10-12-5-7-13(18)8-6-12/h1-8,14,19-20H,9-11H2
InChIKeyHGZBTJOSQWSDSA-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60896653
1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
CID 102805214
1-(2-bromo-4-chloroanilino)-3-phenoxypropan-2-ol
CID 81270786
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol (CID 60897419) is 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol is OC(CNc1ccccc1Br)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is HGZBTJOSQWSDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c17-15-3-1-2-4-16(15)19-9-14(20)11-21-10-12-5-7-13(18)8-6-12/h1-8,14,19-20H,9-11H2.
What are the key properties of 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 60897419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).