3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol

C18H23NO2 — CID 103270839

IUPAC3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc2cc(CNCC3CCC(O)C3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-21-18-7-5-15-8-13(2-4-16(15)10-18)11-19-12-14-3-6-17(20)9-14/h2,4-5,7-8,10,14,17,19-20H,3,6,9,11-12H2,1H3
InChIKeyRJWNQXLQRPUSIH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.10
Rot. Bonds5

About 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol

3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270839) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270839
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc2cc(CNCC3CCC(O)C3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-21-18-7-5-15-8-13(2-4-16(15)10-18)11-19-12-14-3-6-17(20)9-14/h2,4-5,7-8,10,14,17,19-20H,3,6,9,11-12H2,1H3
InChIKeyRJWNQXLQRPUSIH-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106129848
3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
4-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213420
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
N-[(6-methoxynaphthalen-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119126992

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 103270839) is 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol is COc1ccc2cc(CNCC3CCC(O)C3)ccc2c1.
What is the InChIKey of 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is RJWNQXLQRPUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-18-7-5-15-8-13(2-4-16(15)10-18)11-19-12-14-3-6-17(20)9-14/h2,4-5,7-8,10,14,17,19-20H,3,6,9,11-12H2,1H3.
What are the key properties of 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol?
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).