4-[2-(4-amino-3-propoxyanilino)ethyl]phenol

C17H22N2O2 — CID 63671834

IUPAC4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
SMILESCCCOc1cc(NCCc2ccc(O)cc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-11-21-17-12-14(5-8-16(17)18)19-10-9-13-3-6-15(20)7-4-13/h3-8,12,19-20H,2,9-11,18H2,1H3
InChIKeyHBNUHXIPBKZYEK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.42
Rot. Bonds7

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

4-[2-(4-amino-3-propoxyanilino)ethyl]phenol (PubChem CID 63671834) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
PubChem CID63671834
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
SMILESCCCOc1cc(NCCc2ccc(O)cc2)ccc1N
InChIInChI=1S/C17H22N2O2/c1-2-11-21-17-12-14(5-8-16(17)18)19-10-9-13-3-6-15(20)7-4-13/h3-8,12,19-20H,2,9-11,18H2,1H3
InChIKeyHBNUHXIPBKZYEK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
2-propoxy-4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,4-diamine
CID 55232166
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
4-N-[(4-chlorophenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671606
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol?
The IUPAC name of 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol (CID 63671834) is 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol.
What is the SMILES notation for 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol?
The canonical SMILES for 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol is CCCOc1cc(NCCc2ccc(O)cc2)ccc1N.
What is the InChIKey of 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol?
The InChIKey is HBNUHXIPBKZYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-11-21-17-12-14(5-8-16(17)18)19-10-9-13-3-6-15(20)7-4-13/h3-8,12,19-20H,2,9-11,18H2,1H3.
What are the key properties of 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol?
4-[2-(4-amino-3-propoxyanilino)ethyl]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 4-[2-(4-amino-3-propoxyanilino)ethyl]phenol is sourced from PubChem (CID 63671834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).