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

C16H20N2O2 — CID 82153989

IUPAC3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
SMILESCOc1ccc(CCCNc2cccc(O)c2)cc1N
InChIInChI=1S/C16H20N2O2/c1-20-16-8-7-12(10-15(16)17)4-3-9-18-13-5-2-6-14(19)11-13/h2,5-8,10-11,18-19H,3-4,9,17H2,1H3
InChIKeyHOYODRXQNWPVAN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds6

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

3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol (PubChem CID 82153989) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol.

Molecular Properties

Compound Name3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
PubChem CID82153989
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
SMILESCOc1ccc(CCCNc2cccc(O)c2)cc1N
InChIInChI=1S/C16H20N2O2/c1-20-16-8-7-12(10-15(16)17)4-3-9-18-13-5-2-6-14(19)11-13/h2,5-8,10-11,18-19H,3-4,9,17H2,1H3
InChIKeyHOYODRXQNWPVAN-UHFFFAOYSA-N
XLogP3.03
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
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-ethoxyphenyl)propylamino]phenol
CID 82153937
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
3-(3-phenylpropylamino)phenol
CID 28722963
5-[3-(3-fluoroanilino)propyl]-2-propoxyaniline
CID 82153898
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
3-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43771044
2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxybenzamide
CID 60971357

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol?
The IUPAC name of 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol (CID 82153989) is 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol.
What is the SMILES notation for 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol?
The canonical SMILES for 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol is COc1ccc(CCCNc2cccc(O)c2)cc1N.
What is the InChIKey of 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol?
The InChIKey is HOYODRXQNWPVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16-8-7-12(10-15(16)17)4-3-9-18-13-5-2-6-14(19)11-13/h2,5-8,10-11,18-19H,3-4,9,17H2,1H3.
What are the key properties of 3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol?
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol has a molecular weight of 272.35 g/mol, XLogP of 3.03, 6 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-methoxyphenyl)propylamino]phenol is sourced from PubChem (CID 82153989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).