1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol

C16H25NO2 — CID 114950295

IUPAC1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C16H25NO2/c1-3-15(18)13-8-4-5-9-14(13)17(2)12-16(19)10-6-7-11-16/h4-5,8-9,15,18-19H,3,6-7,10-12H2,1-2H3
InChIKeyUDDYOTDMYSUHHX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.87
Rot. Bonds5

About 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol

1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 114950295) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID114950295
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCCC(O)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C16H25NO2/c1-3-15(18)13-8-4-5-9-14(13)17(2)12-16(19)10-6-7-11-16/h4-5,8-9,15,18-19H,3,6-7,10-12H2,1-2H3
InChIKeyUDDYOTDMYSUHHX-UHFFFAOYSA-N
XLogP2.87
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[[2-(ethylaminomethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950572
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950299
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
CID 103960164
(1R)-1-[2-[methyl(3,3,3-trifluoropropyl)amino]phenyl]propan-1-ol
CID 113359035

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol (CID 114950295) is 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol is CCC(O)c1ccccc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is UDDYOTDMYSUHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-15(18)13-8-4-5-9-14(13)17(2)12-16(19)10-6-7-11-16/h4-5,8-9,15,18-19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).