1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol

C16H17Cl2NO2 — CID 23458426

IUPAC1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c1-19-10-15(20)16(21-12-5-3-2-4-6-12)11-7-8-13(17)14(18)9-11/h2-9,15-16,19-20H,10H2,1H3
InChIKeyWEFMMWMXNZNHOW-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.69
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol

1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol (PubChem CID 23458426) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol
PubChem CID23458426
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol
SMILESCNCC(O)C(Oc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO2/c1-19-10-15(20)16(21-12-5-3-2-4-6-12)11-7-8-13(17)14(18)9-11/h2-9,15-16,19-20H,10H2,1H3
InChIKeyWEFMMWMXNZNHOW-UHFFFAOYSA-N
XLogP3.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-phenoxy-1-phenylpropan-2-ol
CID 23458382
3-(methylamino)-1-phenoxy-1-pyridin-2-ylpropan-2-ol
CID 90425937
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
(3S)-3-(3,4-dichlorophenyl)-3-phenoxypropanoic acid
CID 145185611
N-[(3,4-dichlorophenyl)-phenylmethyl]-2-methyl-3-(methylamino)propanamide
CID 119740356
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
1-(3-bromophenyl)-2-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 118675472

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol (CID 23458426) is 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol is CNCC(O)C(Oc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol?
The InChIKey is WEFMMWMXNZNHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-19-10-15(20)16(21-12-5-3-2-4-6-12)11-7-8-13(17)14(18)9-11/h2-9,15-16,19-20H,10H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol?
1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol has a molecular weight of 326.22 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(methylamino)-1-phenoxypropan-2-ol is sourced from PubChem (CID 23458426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).