1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol

C15H22ClNO2 — CID 107634536

IUPAC1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
SMILESCc1ccc(Cl)c(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H22ClNO2/c1-11-6-7-14(16)15(8-11)17-9-12(18)10-19-13-4-2-3-5-13/h6-8,12-13,17-18H,2-5,9-10H2,1H3
InChIKeySVLCRXGAWIFKCX-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol

1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol (PubChem CID 107634536) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
PubChem CID107634536
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
SMILESCc1ccc(Cl)c(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H22ClNO2/c1-11-6-7-14(16)15(8-11)17-9-12(18)10-19-13-4-2-3-5-13/h6-8,12-13,17-18H,2-5,9-10H2,1H3
InChIKeySVLCRXGAWIFKCX-UHFFFAOYSA-N
XLogP3.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 107634648
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-(2-chloro-4-methylanilino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60901160
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
(2S)-1-(2-chloro-5-methylanilino)propan-2-ol
CID 107634835
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol (CID 107634536) is 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol is Cc1ccc(Cl)c(NCC(O)COC2CCCC2)c1.
What is the InChIKey of 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol?
The InChIKey is SVLCRXGAWIFKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-6-7-14(16)15(8-11)17-9-12(18)10-19-13-4-2-3-5-13/h6-8,12-13,17-18H,2-5,9-10H2,1H3.
What are the key properties of 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol?
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 107634536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).