1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol

C16H25NO2 — CID 60729329

IUPAC1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cccc(CNCC(O)COC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13-5-4-6-14(9-13)10-17-11-15(18)12-19-16-7-2-3-8-16/h4-6,9,15-18H,2-3,7-8,10-12H2,1H3
InChIKeyYKLJKGBJSUQASK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds7

About 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol

1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol (PubChem CID 60729329) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
PubChem CID60729329
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
SMILESCc1cccc(CNCC(O)COC2CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-13-5-4-6-14(9-13)10-17-11-15(18)12-19-16-7-2-3-8-16/h4-6,9,15-18H,2-3,7-8,10-12H2,1H3
InChIKeyYKLJKGBJSUQASK-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62313548
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
CID 62538630
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61280895
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol (CID 60729329) is 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol is Cc1cccc(CNCC(O)COC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol?
The InChIKey is YKLJKGBJSUQASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-5-4-6-14(9-13)10-17-11-15(18)12-19-16-7-2-3-8-16/h4-6,9,15-18H,2-3,7-8,10-12H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol?
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 60729329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).