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

C16H26N2O2 — CID 79122393

IUPAC2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
SMILESCNC1CCC(N(C)Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C16H26N2O2/c1-17-13-7-9-14(10-8-13)18(2)11-12-5-4-6-15(20-3)16(12)19/h4-6,13-14,17,19H,7-11H2,1-3H3
InChIKeyKTJWDPPEZDSCME-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds5

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

2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol (PubChem CID 79122393) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
PubChem CID79122393
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol
SMILESCNC1CCC(N(C)Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C16H26N2O2/c1-17-13-7-9-14(10-8-13)18(2)11-12-5-4-6-15(20-3)16(12)19/h4-6,13-14,17,19H,7-11H2,1-3H3
InChIKeyKTJWDPPEZDSCME-UHFFFAOYSA-N
XLogP2.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclopentyl(methyl)amino]methyl]-6-methoxyphenol
CID 82974737
2-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-6-methoxyphenol
CID 82983855
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067
2-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63642755

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol (CID 79122393) is 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol is CNC1CCC(N(C)Cc2cccc(OC)c2O)CC1.
What is the InChIKey of 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol?
The InChIKey is KTJWDPPEZDSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-13-7-9-14(10-8-13)18(2)11-12-5-4-6-15(20-3)16(12)19/h4-6,13-14,17,19H,7-11H2,1-3H3.
What are the key properties of 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol?
2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol has a molecular weight of 278.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]phenol is sourced from PubChem (CID 79122393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).