2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol

C14H21NO2 — CID 112554340

IUPAC2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
SMILESCOC1CCCC1NCc1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-10-5-3-6-11(14(10)16)9-15-12-7-4-8-13(12)17-2/h3,5-6,12-13,15-16H,4,7-9H2,1-2H3
InChIKeyVYYSOTDULURGNW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds4

About 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol

2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol (PubChem CID 112554340) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
PubChem CID112554340
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
SMILESCOC1CCCC1NCc1cccc(C)c1O
InChIInChI=1S/C14H21NO2/c1-10-5-3-6-11(14(10)16)9-15-12-7-4-8-13(12)17-2/h3,5-6,12-13,15-16H,4,7-9H2,1-2H3
InChIKeyVYYSOTDULURGNW-UHFFFAOYSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
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

2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
CID 107114541
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
2-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclopentan-1-amine
CID 80649519
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
2-methoxy-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 79032067
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62087491
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 62474062

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol?
The IUPAC name of 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol (CID 112554340) is 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol is COC1CCCC1NCc1cccc(C)c1O.
What is the InChIKey of 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol?
The InChIKey is VYYSOTDULURGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-3-6-11(14(10)16)9-15-12-7-4-8-13(12)17-2/h3,5-6,12-13,15-16H,4,7-9H2,1-2H3.
What are the key properties of 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol?
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 112554340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).