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

C16H20N2O2 — CID 61419975

IUPAC4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
SMILESCOc1ccccc1CN(C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H20N2O2/c1-18(10-12-5-3-4-6-16(12)20-2)11-13-9-14(17)7-8-15(13)19/h3-9,19H,10-11,17H2,1-2H3
InChIKeyWGCQMVMYGCYVRJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds5

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

4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol (PubChem CID 61419975) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
PubChem CID61419975
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
SMILESCOc1ccccc1CN(C)Cc1cc(N)ccc1O
InChIInChI=1S/C16H20N2O2/c1-18(10-12-5-3-4-6-16(12)20-2)11-13-9-14(17)7-8-15(13)19/h3-9,19H,10-11,17H2,1-2H3
InChIKeyWGCQMVMYGCYVRJ-UHFFFAOYSA-N
XLogP2.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79384257
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038777
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
1-N-[(2-methoxyphenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79722348
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
CID 107733778
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol?
The IUPAC name of 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol (CID 61419975) is 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol is COc1ccccc1CN(C)Cc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol?
The InChIKey is WGCQMVMYGCYVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(10-12-5-3-4-6-16(12)20-2)11-13-9-14(17)7-8-15(13)19/h3-9,19H,10-11,17H2,1-2H3.
What are the key properties of 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol?
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol has a molecular weight of 272.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol is sourced from PubChem (CID 61419975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).