1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol

C19H18BrNO2 — CID 23884461

IUPAC1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNc1ccc(Br)cc1)COc1cccc2ccccc12
InChIInChI=1S/C19H18BrNO2/c20-15-8-10-16(11-9-15)21-12-17(22)13-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,17,21-22H,12-13H2
InChIKeyBQBMXTQHFULCRG-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol

1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 23884461) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID23884461
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
SMILESOC(CNc1ccc(Br)cc1)COc1cccc2ccccc12
InChIInChI=1S/C19H18BrNO2/c20-15-8-10-16(11-9-15)21-12-17(22)13-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,17,21-22H,12-13H2
InChIKeyBQBMXTQHFULCRG-UHFFFAOYSA-N
XLogP4.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
(2S)-1-naphthalen-1-yloxy-3-(3-nitroanilino)propan-2-ol
CID 785940
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
(2R)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086464
(2S)-1-(cycloheptylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 2086466

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol (CID 23884461) is 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol is OC(CNc1ccc(Br)cc1)COc1cccc2ccccc12.
What is the InChIKey of 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is BQBMXTQHFULCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-15-8-10-16(11-9-15)21-12-17(22)13-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-11,17,21-22H,12-13H2.
What are the key properties of 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol?
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 372.26 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 23884461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).