2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol

C14H21NO2 — CID 103735804

IUPAC2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2(C)CCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-14(6-3-7-14)10-15-9-11-4-5-13(17-2)12(16)8-11/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyKVQQAKQMTOTXIB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.68
Rot. Bonds5

About 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol

2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol (PubChem CID 103735804) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
PubChem CID103735804
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCC2(C)CCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-14(6-3-7-14)10-15-9-11-4-5-13(17-2)12(16)8-11/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyKVQQAKQMTOTXIB-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
CID 119124485
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735823
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol (CID 103735804) is 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol is COc1ccc(CNCC2(C)CCC2)cc1O.
What is the InChIKey of 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol?
The InChIKey is KVQQAKQMTOTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(6-3-7-14)10-15-9-11-4-5-13(17-2)12(16)8-11/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol?
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol is sourced from PubChem (CID 103735804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).