1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol

C16H18BrNO2 — CID 10359618

IUPAC1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
SMILESOC(CNCc1ccccc1)COc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c17-14-6-8-16(9-7-14)20-12-15(19)11-18-10-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2
InChIKeyZZINRCPZRRPDKU-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.98
Rot. Bonds7

About 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol

1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol (PubChem CID 10359618) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
PubChem CID10359618
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
SMILESOC(CNCc1ccccc1)COc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c17-14-6-8-16(9-7-14)20-12-15(19)11-18-10-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2
InChIKeyZZINRCPZRRPDKU-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-[4-[2-hydroxy-3-[(4-methylphenyl)methylamino]propoxy]phenoxy]-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 19133404
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
1-(4-bromophenoxy)-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 60744441
1-(benzylamino)-3-phenoxypropan-2-ol;ethane;methyl 2-methoxyacetate
CID 91403066
(2R)-1-[2-(4-bromophenyl)sulfanylethylamino]-3-phenoxypropan-2-ol
CID 2106525
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol?
The IUPAC name of 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol (CID 10359618) is 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol is OC(CNCc1ccccc1)COc1ccc(Br)cc1.
What is the InChIKey of 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol?
The InChIKey is ZZINRCPZRRPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-14-6-8-16(9-7-14)20-12-15(19)11-18-10-13-4-2-1-3-5-13/h1-9,15,18-19H,10-12H2.
What are the key properties of 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol?
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol has a molecular weight of 336.23 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol is sourced from PubChem (CID 10359618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).