2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol

C16H25NO3 — CID 107411940

IUPAC2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCC2CCC(C)C2)cc(OC)c1O
InChIInChI=1S/C16H25NO3/c1-11-4-5-12(6-11)9-17-10-13-7-14(19-2)16(18)15(8-13)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3
InChIKeyZYYXIVIQGDRODU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds6

About 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol

2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol (PubChem CID 107411940) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
PubChem CID107411940
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCC2CCC(C)C2)cc(OC)c1O
InChIInChI=1S/C16H25NO3/c1-11-4-5-12(6-11)9-17-10-13-7-14(19-2)16(18)15(8-13)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3
InChIKeyZYYXIVIQGDRODU-UHFFFAOYSA-N
XLogP2.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411697
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
CID 60855504
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 45259502
2-bromo-4-[[3-(cyclopropylmethoxy)propylamino]methyl]-6-methoxyphenol
CID 28718642
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
CID 60957872
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270665

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol (CID 107411940) is 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol is COc1cc(CNCC2CCC(C)C2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
The InChIKey is ZYYXIVIQGDRODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-4-5-12(6-11)9-17-10-13-7-14(19-2)16(18)15(8-13)20-3/h7-8,11-12,17-18H,4-6,9-10H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol?
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol is sourced from PubChem (CID 107411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).