2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol

C16H20N2O2 — CID 82043143

IUPAC2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(CN)N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-18(12-6-4-3-5-7-12)15(11-17)14-9-8-13(20-2)10-16(14)19/h3-10,15,19H,11,17H2,1-2H3
InChIKeyDEBLIKDBXJBFAF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol

2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol (PubChem CID 82043143) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
PubChem CID82043143
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(CN)N(C)c2ccccc2)c(O)c1
InChIInChI=1S/C16H20N2O2/c1-18(12-6-4-3-5-7-12)15(11-17)14-9-8-13(20-2)10-16(14)19/h3-10,15,19H,11,17H2,1-2H3
InChIKeyDEBLIKDBXJBFAF-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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

1-(4-fluoro-2-methylphenyl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62135493
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
CID 82957371
3-amino-1-(4-methoxyphenyl)-1-(N-methylanilino)propan-2-ol
CID 24900022
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
2-[(3-aminopropylamino)-phenylmethyl]-5-methoxyphenol
CID 60889877
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-methoxyphenol
CID 171220210
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
1-(4-bromo-5-methylthiophen-2-yl)-N-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 102838954

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol (CID 82043143) is 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol is COc1ccc(C(CN)N(C)c2ccccc2)c(O)c1.
What is the InChIKey of 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol?
The InChIKey is DEBLIKDBXJBFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(12-6-4-3-5-7-12)15(11-17)14-9-8-13(20-2)10-16(14)19/h3-10,15,19H,11,17H2,1-2H3.
What are the key properties of 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol?
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol has a molecular weight of 272.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82043143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).