3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol

C15H23NO3 — CID 103270829

IUPAC3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(CNCC2CCC(O)C2)c1
InChIInChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)12(8-14)10-16-9-11-3-4-13(17)7-11/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyFVBLPSHVPOXTNV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.95
Rot. Bonds6

About 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol

3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 103270829) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID103270829
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(CNCC2CCC(O)C2)c1
InChIInChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)12(8-14)10-16-9-11-3-4-13(17)7-11/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3
InChIKeyFVBLPSHVPOXTNV-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004445
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129789
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 114146215

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol (CID 103270829) is 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol is COc1ccc(OC)c(CNCC2CCC(O)C2)c1.
What is the InChIKey of 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is FVBLPSHVPOXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-14-5-6-15(19-2)12(8-14)10-16-9-11-3-4-13(17)7-11/h5-6,8,11,13,16-17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103270829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).