2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol

C16H25NO2 — CID 102795067

IUPAC2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
SMILESCOc1cccc(CNC2CCCC(C)CC2)c1O
InChIInChI=1S/C16H25NO2/c1-12-5-3-7-14(10-9-12)17-11-13-6-4-8-15(19-2)16(13)18/h4,6,8,12,14,17-18H,3,5,7,9-11H2,1-2H3
InChIKeyDVEPEKVWUQHAOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds4

About 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol

2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol (PubChem CID 102795067) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
PubChem CID102795067
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
SMILESCOc1cccc(CNC2CCCC(C)CC2)c1O
InChIInChI=1S/C16H25NO2/c1-12-5-3-7-14(10-9-12)17-11-13-6-4-8-15(19-2)16(13)18/h4,6,8,12,14,17-18H,3,5,7,9-11H2,1-2H3
InChIKeyDVEPEKVWUQHAOT-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
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-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
CID 64742005
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
2-[[(1,1-dioxothian-4-yl)amino]methyl]-6-methoxyphenol
CID 43615074
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-6-methoxyphenol
CID 43190971
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 54848643

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol (CID 102795067) is 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol is COc1cccc(CNC2CCCC(C)CC2)c1O.
What is the InChIKey of 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
The InChIKey is DVEPEKVWUQHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-3-7-14(10-9-12)17-11-13-6-4-8-15(19-2)16(13)18/h4,6,8,12,14,17-18H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol?
2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol has a molecular weight of 263.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol is sourced from PubChem (CID 102795067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).