4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol

C17H22N2O2 — CID 82257346

IUPAC4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(CCNCCc2ccc(O)cc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-21-17-7-4-14(12-16(17)18)9-11-19-10-8-13-2-5-15(20)6-3-13/h2-7,12,19-20H,8-11,18H2,1H3
InChIKeyDSKMBRLLJWPFIT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.36
Rot. Bonds7

About 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol

4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol (PubChem CID 82257346) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
PubChem CID82257346
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(CCNCCc2ccc(O)cc2)cc1N
InChIInChI=1S/C17H22N2O2/c1-21-17-7-4-14(12-16(17)18)9-11-19-10-8-13-2-5-15(20)6-3-13/h2-7,12,19-20H,8-11,18H2,1H3
InChIKeyDSKMBRLLJWPFIT-UHFFFAOYSA-N
XLogP2.36
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol (CID 82257346) is 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol is COc1ccc(CCNCCc2ccc(O)cc2)cc1N.
What is the InChIKey of 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol?
The InChIKey is DSKMBRLLJWPFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-17-7-4-14(12-16(17)18)9-11-19-10-8-13-2-5-15(20)6-3-13/h2-7,12,19-20H,8-11,18H2,1H3.
What are the key properties of 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol?
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol has a molecular weight of 286.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 82257346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).