2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol

C17H21NO2 — CID 60889614

IUPAC2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
SMILESCNCc1c(OC2CCCC2O)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-18-11-14-13-6-3-2-5-12(13)9-10-16(14)20-17-8-4-7-15(17)19/h2-3,5-6,9-10,15,17-19H,4,7-8,11H2,1H3
InChIKeyKHXPOPZEDQOQSI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.85
Rot. Bonds4

About 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol

2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol (PubChem CID 60889614) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
PubChem CID60889614
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
SMILESCNCc1c(OC2CCCC2O)ccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-18-11-14-13-6-3-2-5-12(13)9-10-16(14)20-17-8-4-7-15(17)19/h2-3,5-6,9-10,15,17-19H,4,7-8,11H2,1H3
InChIKeyKHXPOPZEDQOQSI-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
CID 93462017
N-methyl-1-[2-(oxan-3-yloxy)naphthalen-1-yl]methanamine
CID 107134305
2-[2-chloro-6-(methylaminomethyl)phenoxy]cyclopentan-1-ol
CID 112608552
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
5-[1-(methylaminomethyl)naphthalen-2-yl]oxypentan-1-ol
CID 62229347
1-cyclohexyl-N-[(2-methoxynaphthalen-1-yl)methyl]methanamine
CID 43215559
2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
CID 172549938
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
2-[4-(methylaminomethyl)-2-nitrophenoxy]cyclopentan-1-ol
CID 60881807
1-[1-(methylaminomethyl)naphthalen-2-yl]oxybutan-2-ol
CID 60889616
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol?
The IUPAC name of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol (CID 60889614) is 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol.
What is the SMILES notation for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol?
The canonical SMILES for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol is CNCc1c(OC2CCCC2O)ccc2ccccc12.
What is the InChIKey of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol?
The InChIKey is KHXPOPZEDQOQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-11-14-13-6-3-2-5-12(13)9-10-16(14)20-17-8-4-7-15(17)19/h2-3,5-6,9-10,15,17-19H,4,7-8,11H2,1H3.
What are the key properties of 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol?
2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol is sourced from PubChem (CID 60889614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).