4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol

C15H18N2O2 — CID 107733778

IUPAC4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
SMILESCOc1ccc(N)cc1CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-17(13-4-6-14(18)7-5-13)10-11-9-12(16)3-8-15(11)19-2/h3-9,18H,10,16H2,1-2H3
InChIKeyMKJMKHSABBANBF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds4

About 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol

4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol (PubChem CID 107733778) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol.

Molecular Properties

Compound Name4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
PubChem CID107733778
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
SMILESCOc1ccc(N)cc1CN(C)c1ccc(O)cc1
InChIInChI=1S/C15H18N2O2/c1-17(13-4-6-14(18)7-5-13)10-11-9-12(16)3-8-15(11)19-2/h3-9,18H,10,16H2,1-2H3
InChIKeyMKJMKHSABBANBF-UHFFFAOYSA-N
XLogP2.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-methoxy-2-methylphenyl)methyl-methylamino]phenol
CID 168969761
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733405
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
4-[(5-amino-2-ethoxyphenyl)methyl-methylamino]benzonitrile
CID 62970763
5-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978581
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol?
The IUPAC name of 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol (CID 107733778) is 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol.
What is the SMILES notation for 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol?
The canonical SMILES for 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol is COc1ccc(N)cc1CN(C)c1ccc(O)cc1.
What is the InChIKey of 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol?
The InChIKey is MKJMKHSABBANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(13-4-6-14(18)7-5-13)10-11-9-12(16)3-8-15(11)19-2/h3-9,18H,10,16H2,1-2H3.
What are the key properties of 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol?
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol is sourced from PubChem (CID 107733778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).