1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol

C13H17ClFNO2 — CID 60899295

IUPAC1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COCC1CC1
InChIInChI=1S/C13H17ClFNO2/c14-12-5-10(15)3-4-13(12)16-6-11(17)8-18-7-9-1-2-9/h3-5,9,11,16-17H,1-2,6-8H2
InChIKeyWWMVJAARLIQKKH-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.68
Rot. Bonds7

About 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol

1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 60899295) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID60899295
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1ccc(F)cc1Cl)COCC1CC1
InChIInChI=1S/C13H17ClFNO2/c14-12-5-10(15)3-4-13(12)16-6-11(17)8-18-7-9-1-2-9/h3-5,9,11,16-17H,1-2,6-8H2
InChIKeyWWMVJAARLIQKKH-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluoroanilino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60900045
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
3-bromo-4-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 103865872
1-(2-chloro-4-fluoroanilino)-3-(3-chlorophenoxy)propan-2-ol
CID 60899861
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
2-chloro-N-(cyclopentylmethyl)-4-fluoroaniline
CID 61343734
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 111697870

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 60899295) is 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol is OC(CNc1ccc(F)cc1Cl)COCC1CC1.
What is the InChIKey of 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is WWMVJAARLIQKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c14-12-5-10(15)3-4-13(12)16-6-11(17)8-18-7-9-1-2-9/h3-5,9,11,16-17H,1-2,6-8H2.
What are the key properties of 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 273.73 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 60899295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).