2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol

C12H17NO2 — CID 115635052

IUPAC2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCOc1cccc(CNC2(C)CC2)c1O
InChIInChI=1S/C12H17NO2/c1-12(6-7-12)13-8-9-4-3-5-10(15-2)11(9)14/h3-5,13-14H,6-8H2,1-2H3
InChIKeyKKMNUJXSIFZQIC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.04
Rot. Bonds4

About 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol

2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol (PubChem CID 115635052) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
PubChem CID115635052
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCOc1cccc(CNC2(C)CC2)c1O
InChIInChI=1S/C12H17NO2/c1-12(6-7-12)13-8-9-4-3-5-10(15-2)11(9)14/h3-5,13-14H,6-8H2,1-2H3
InChIKeyKKMNUJXSIFZQIC-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115907268
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol (CID 115635052) is 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol is COc1cccc(CNC2(C)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The InChIKey is KKMNUJXSIFZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(6-7-12)13-8-9-4-3-5-10(15-2)11(9)14/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 115635052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).