1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol

C15H23NO2 — CID 60902650

IUPAC1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)16-10-14(17)11-18-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3
InChIKeyNAYXMQWUOITAHB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.73
Rot. Bonds6

About 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol

1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol (PubChem CID 60902650) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
PubChem CID60902650
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
SMILESCc1cccc(NCC(O)COC2CCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)16-10-14(17)11-18-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3
InChIKeyNAYXMQWUOITAHB-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62313548
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]benzonitrile
CID 60896645

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol (CID 60902650) is 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol is Cc1cccc(NCC(O)COC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol?
The InChIKey is NAYXMQWUOITAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-5-4-6-13(9-12)16-10-14(17)11-18-15-7-2-3-8-15/h4-6,9,14-17H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol?
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol is sourced from PubChem (CID 60902650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).