1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol

C16H17BrClNO2 — CID 61401329

IUPAC1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol
SMILESOC(CNCc1cccc(Br)c1)COc1ccccc1Cl
InChIInChI=1S/C16H17BrClNO2/c17-13-5-3-4-12(8-13)9-19-10-14(20)11-21-16-7-2-1-6-15(16)18/h1-8,14,19-20H,9-11H2
InChIKeyDWYGTOYYHKABBS-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.63
Rot. Bonds7

About 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol

1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol (PubChem CID 61401329) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol
PubChem CID61401329
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol
SMILESOC(CNCc1cccc(Br)c1)COc1ccccc1Cl
InChIInChI=1S/C16H17BrClNO2/c17-13-5-3-4-12(8-13)9-19-10-14(20)11-21-16-7-2-1-6-15(16)18/h1-8,14,19-20H,9-11H2
InChIKeyDWYGTOYYHKABBS-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,3-dichlorophenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 110906838
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
(2S)-1-(benzylamino)-3-(2-bromo-4-chloro-6-methylphenoxy)propan-2-ol
CID 7176668
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol (CID 61401329) is 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol is OC(CNCc1cccc(Br)c1)COc1ccccc1Cl.
What is the InChIKey of 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol?
The InChIKey is DWYGTOYYHKABBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c17-13-5-3-4-12(8-13)9-19-10-14(20)11-21-16-7-2-1-6-15(16)18/h1-8,14,19-20H,9-11H2.
What are the key properties of 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol?
1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methylamino]-3-(2-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 61401329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).