2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol

C14H21NO3 — CID 114750189

IUPAC2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC2(CCO)CC2)c1O
InChIInChI=1S/C14H21NO3/c1-18-12-4-2-3-11(13(12)17)9-15-10-14(5-6-14)7-8-16/h2-4,15-17H,5-10H2,1H3
InChIKeyMIPWGJIBQOEULN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds7

About 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol

2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol (PubChem CID 114750189) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
PubChem CID114750189
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNCC2(CCO)CC2)c1O
InChIInChI=1S/C14H21NO3/c1-18-12-4-2-3-11(13(12)17)9-15-10-14(5-6-14)7-8-16/h2-4,15-17H,5-10H2,1H3
InChIKeyMIPWGJIBQOEULN-UHFFFAOYSA-N
XLogP1.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750185
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-4-methoxybenzonitrile
CID 114756535
2-bromo-6-[[(1-ethylcyclopropyl)methylamino]methyl]phenol
CID 103735468
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
2-[1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750274
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 103172793
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol (CID 114750189) is 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol is COc1cccc(CNCC2(CCO)CC2)c1O.
What is the InChIKey of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol?
The InChIKey is MIPWGJIBQOEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-18-12-4-2-3-11(13(12)17)9-15-10-14(5-6-14)7-8-16/h2-4,15-17H,5-10H2,1H3.
What are the key properties of 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol?
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol has a molecular weight of 251.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 114750189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).