2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol

C17H20ClNO — CID 107678033

IUPAC2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
SMILESCCc1ccc(C(CC)Nc2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-3-12-5-7-13(8-6-12)16(4-2)19-14-9-10-17(20)15(18)11-14/h5-11,16,19-20H,3-4H2,1-2H3
InChIKeyGLCHINHMUOMKHB-UHFFFAOYSA-N
MW289.81 g/mol
LogP5.17
Rot. Bonds5

About 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol

2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol (PubChem CID 107678033) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol.

Molecular Properties

Compound Name2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
PubChem CID107678033
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
SMILESCCc1ccc(C(CC)Nc2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-3-12-5-7-13(8-6-12)16(4-2)19-14-9-10-17(20)15(18)11-14/h5-11,16,19-20H,3-4H2,1-2H3
InChIKeyGLCHINHMUOMKHB-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.81
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
2,6-dichloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 83079259
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547
3-chloro-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 43104292
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol?
The IUPAC name of 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol (CID 107678033) is 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol.
What is the SMILES notation for 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol?
The canonical SMILES for 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol is CCc1ccc(C(CC)Nc2ccc(O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol?
The InChIKey is GLCHINHMUOMKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-12-5-7-13(8-6-12)16(4-2)19-14-9-10-17(20)15(18)11-14/h5-11,16,19-20H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol?
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol has a molecular weight of 289.81 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol is sourced from PubChem (CID 107678033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).