1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol

C16H25NO3 — CID 114950299

IUPAC1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(N(C)CC2(O)CCCC2)c1C(C)O
InChIInChI=1S/C16H25NO3/c1-12(18)15-13(7-6-8-14(15)20-3)17(2)11-16(19)9-4-5-10-16/h6-8,12,18-19H,4-5,9-11H2,1-3H3
InChIKeyAUILHPWFRUDCFG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.49
Rot. Bonds5

About 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol

1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol (PubChem CID 114950299) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
PubChem CID114950299
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol
SMILESCOc1cccc(N(C)CC2(O)CCCC2)c1C(C)O
InChIInChI=1S/C16H25NO3/c1-12(18)15-13(7-6-8-14(15)20-3)17(2)11-16(19)9-4-5-10-16/h6-8,12,18-19H,4-5,9-11H2,1-3H3
InChIKeyAUILHPWFRUDCFG-UHFFFAOYSA-N
XLogP2.49
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(1R)-1-hydroxyethyl]-3-methoxy-N-methylanilino]methyl]oxan-4-ol
CID 104985511
(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
CID 104873566
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
CID 114949985
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
1-[[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948138
(1R)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-6-fluorophenyl]ethanol
CID 105415634
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486
1-[[(6-methoxy-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952050
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]phenyl]ethanone
CID 114949916
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
1-[(N-methyl-2-methylsulfonylanilino)methyl]cyclopentan-1-ol
CID 115868665

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol (CID 114950299) is 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol is COc1cccc(N(C)CC2(O)CCCC2)c1C(C)O.
What is the InChIKey of 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol?
The InChIKey is AUILHPWFRUDCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(18)15-13(7-6-8-14(15)20-3)17(2)11-16(19)9-4-5-10-16/h6-8,12,18-19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol?
1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-hydroxyethyl)-3-methoxy-N-methylanilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114950299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).