1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol

C16H17Cl2NO2 — CID 60899964

IUPAC1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
SMILESCc1ccccc1NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-11-4-2-3-5-15(11)19-9-13(20)10-21-16-7-6-12(17)8-14(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyBGGSQKVURPPUKG-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.15
Rot. Bonds6

About 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol

1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol (PubChem CID 60899964) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
PubChem CID60899964
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
SMILESCc1ccccc1NCC(O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO2/c1-11-4-2-3-5-15(11)19-9-13(20)10-21-16-7-6-12(17)8-14(16)18/h2-8,13,19-20H,9-10H2,1H3
InChIKeyBGGSQKVURPPUKG-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
1-(2,4-dichlorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635510
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol (CID 60899964) is 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol is Cc1ccccc1NCC(O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol?
The InChIKey is BGGSQKVURPPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-11-4-2-3-5-15(11)19-9-13(20)10-21-16-7-6-12(17)8-14(16)18/h2-8,13,19-20H,9-10H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol?
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol has a molecular weight of 326.22 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol is sourced from PubChem (CID 60899964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).