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

C12H17NO — CID 115907268

IUPAC2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCc1cccc(CNC2(C)CC2)c1O
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10(11(9)14)8-13-12(2)6-7-12/h3-5,13-14H,6-8H2,1-2H3
InChIKeyCZDINEWXXSRCOK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds3

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

2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol (PubChem CID 115907268) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol
PubChem CID115907268
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol
SMILESCc1cccc(CNC2(C)CC2)c1O
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10(11(9)14)8-13-12(2)6-7-12/h3-5,13-14H,6-8H2,1-2H3
InChIKeyCZDINEWXXSRCOK-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
2-[(1-adamantylamino)methyl]-6-methylphenol
CID 115950917
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2,3-triol
CID 103953918
2-[(ethoxyamino)methyl]-6-methylphenol
CID 112607168
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[[(1-methylcyclopropyl)amino]methyl]benzoic acid
CID 103264014
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-methyl-6-[(5-methylhexan-2-ylamino)methyl]phenol
CID 112553862
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The IUPAC name of 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol (CID 115907268) is 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol.
What is the SMILES notation for 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The canonical SMILES for 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol is Cc1cccc(CNC2(C)CC2)c1O.
What is the InChIKey of 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
The InChIKey is CZDINEWXXSRCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-10(11(9)14)8-13-12(2)6-7-12/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol?
2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol has a molecular weight of 191.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(1-methylcyclopropyl)amino]methyl]phenol is sourced from PubChem (CID 115907268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).