3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol

C17H22N2O2 — CID 82153937

IUPAC3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
SMILESCCOc1ccc(CCCNc2cccc(O)c2)cc1N
InChIInChI=1S/C17H22N2O2/c1-2-21-17-9-8-13(11-16(17)18)5-4-10-19-14-6-3-7-15(20)12-14/h3,6-9,11-12,19-20H,2,4-5,10,18H2,1H3
InChIKeyXJDNZCOSIZYEJP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.42
Rot. Bonds7

About 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol

3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol (PubChem CID 82153937) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol.

Molecular Properties

Compound Name3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
PubChem CID82153937
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
SMILESCCOc1ccc(CCCNc2cccc(O)c2)cc1N
InChIInChI=1S/C17H22N2O2/c1-2-21-17-9-8-13(11-16(17)18)5-4-10-19-14-6-3-7-15(20)12-14/h3,6-9,11-12,19-20H,2,4-5,10,18H2,1H3
InChIKeyXJDNZCOSIZYEJP-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
5-[3-(4-tert-butylanilino)propyl]-2-ethoxyaniline
CID 82153944
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline
CID 82153932
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
5-[3-(4-ethoxyanilino)propyl]-2-propoxyaniline
CID 82153892
3-(3-phenylpropylamino)phenol
CID 28722963
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
3-[(4-ethoxy-3-methoxyphenyl)methylamino]phenol
CID 28722983
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
CID 82257558

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol?
The IUPAC name of 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol (CID 82153937) is 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol.
What is the SMILES notation for 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol?
The canonical SMILES for 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol is CCOc1ccc(CCCNc2cccc(O)c2)cc1N.
What is the InChIKey of 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol?
The InChIKey is XJDNZCOSIZYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-17-9-8-13(11-16(17)18)5-4-10-19-14-6-3-7-15(20)12-14/h3,6-9,11-12,19-20H,2,4-5,10,18H2,1H3.
What are the key properties of 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol?
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol has a molecular weight of 286.38 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol is sourced from PubChem (CID 82153937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).