2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol

C13H19NO2 — CID 115978487

IUPAC2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCC2CC2C)ccc1O
InChIInChI=1S/C13H19NO2/c1-9-5-11(9)8-14-7-10-3-4-12(15)13(6-10)16-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3
InChIKeyFCMYKBLRKMZNPH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds5

About 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol

2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol (PubChem CID 115978487) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
PubChem CID115978487
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
SMILESCOc1cc(CNCC2CC2C)ccc1O
InChIInChI=1S/C13H19NO2/c1-9-5-11(9)8-14-7-10-3-4-12(15)13(6-10)16-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3
InChIKeyFCMYKBLRKMZNPH-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[(thian-4-ylmethylamino)methyl]phenol
CID 115978573
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methoxyphenol
CID 63994863
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
2-methoxy-4-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 61239312
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
CID 62734294
4-[(4-hydroxybutylamino)methyl]-2-methoxyphenol
CID 106840868
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 103948125
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol (CID 115978487) is 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol is COc1cc(CNCC2CC2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is FCMYKBLRKMZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-5-11(9)8-14-7-10-3-4-12(15)13(6-10)16-2/h3-4,6,9,11,14-15H,5,7-8H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 115978487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).