3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol

C15H23NO2 — CID 114146215

IUPAC3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESCOCc1ccccc1CNCC1CCC(O)C1
InChIInChI=1S/C15H23NO2/c1-18-11-14-5-3-2-4-13(14)10-16-9-12-6-7-15(17)8-12/h2-5,12,15-17H,6-11H2,1H3
InChIKeyKGWSBZQMLCABDW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.08
Rot. Bonds6

About 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol

3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 114146215) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
PubChem CID114146215
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
SMILESCOCc1ccccc1CNCC1CCC(O)C1
InChIInChI=1S/C15H23NO2/c1-18-11-14-5-3-2-4-13(14)10-16-9-12-6-7-15(17)8-12/h2-5,12,15-17H,6-11H2,1H3
InChIKeyKGWSBZQMLCABDW-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[3-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270675
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
methyl 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]phenyl]acetate
CID 106133501
3-[[(2,3-dichlorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270651
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 81102296
4-[[(2,3-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147038
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol (CID 114146215) is 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol is COCc1ccccc1CNCC1CCC(O)C1.
What is the InChIKey of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KGWSBZQMLCABDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-11-14-5-3-2-4-13(14)10-16-9-12-6-7-15(17)8-12/h2-5,12,15-17H,6-11H2,1H3.
What are the key properties of 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol?
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114146215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).