4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol

C18H23NO2 — CID 81337841

IUPAC4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(12-15-4-8-17(20)9-5-15)19-14(2)16-6-10-18(21-3)11-7-16/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyLQYHFEMYIAPBBV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds6

About 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol

4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol (PubChem CID 81337841) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
PubChem CID81337841
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-13(12-15-4-8-17(20)9-5-15)19-14(2)16-6-10-18(21-3)11-7-16/h4-11,13-14,19-20H,12H2,1-3H3
InChIKeyLQYHFEMYIAPBBV-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propyl]phenol
CID 115494470
4-[1-[1-(4-methoxyphenyl)propylamino]ethyl]phenol
CID 43720375
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
4-[2-(1-methoxypropan-2-ylamino)propyl]phenol
CID 81344807
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol?
The IUPAC name of 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol (CID 81337841) is 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol.
What is the SMILES notation for 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol?
The canonical SMILES for 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol is COc1ccc(C(C)NC(C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol?
The InChIKey is LQYHFEMYIAPBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(12-15-4-8-17(20)9-5-15)19-14(2)16-6-10-18(21-3)11-7-16/h4-11,13-14,19-20H,12H2,1-3H3.
What are the key properties of 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol?
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol is sourced from PubChem (CID 81337841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).