2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol

C18H23NO2 — CID 43743777

IUPAC2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
SMILESCCCc1ccc(C(C)Nc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-5-14-6-8-15(9-7-14)13(2)19-16-10-11-18(21-3)17(20)12-16/h6-13,19-20H,4-5H2,1-3H3
InChIKeySFXGRJYXDKHILZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.53
Rot. Bonds6

About 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol

2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol (PubChem CID 43743777) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
PubChem CID43743777
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
SMILESCCCc1ccc(C(C)Nc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-5-14-6-8-15(9-7-14)13(2)19-16-10-11-18(21-3)17(20)12-16/h6-13,19-20H,4-5H2,1-3H3
InChIKeySFXGRJYXDKHILZ-UHFFFAOYSA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
CID 43743729
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
CID 83059340
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
N-(1-phenylethyl)-4-propylaniline
CID 43078217
5-(ethylamino)-2-methoxyphenol
CID 43743866
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol?
The IUPAC name of 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol (CID 43743777) is 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol.
What is the SMILES notation for 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol?
The canonical SMILES for 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol is CCCc1ccc(C(C)Nc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol?
The InChIKey is SFXGRJYXDKHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-14-6-8-15(9-7-14)13(2)19-16-10-11-18(21-3)17(20)12-16/h6-13,19-20H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol?
2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol is sourced from PubChem (CID 43743777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).