2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

C19H25NO3 — CID 111382254

IUPAC2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)NCC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO3/c1-4-23-17-10-8-15(9-11-17)14(2)20-13-19(21)16-6-5-7-18(12-16)22-3/h5-12,14,19-21H,4,13H2,1-3H3
InChIKeyCGKIGSGQVDQATC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.48
Rot. Bonds8

About 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111382254) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111382254
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCCOc1ccc(C(C)NCC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H25NO3/c1-4-23-17-10-8-15(9-11-17)14(2)20-13-19(21)16-6-5-7-18(12-16)22-3/h5-12,14,19-21H,4,13H2,1-3H3
InChIKeyCGKIGSGQVDQATC-UHFFFAOYSA-N
XLogP3.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
(1S)-1-(3-methoxyphenyl)-2-[[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]amino]ethanol
CID 98851139
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81133562
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (CID 111382254) is 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is CCOc1ccc(C(C)NCC(O)c2cccc(OC)c2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is CGKIGSGQVDQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-23-17-10-8-15(9-11-17)14(2)20-13-19(21)16-6-5-7-18(12-16)22-3/h5-12,14,19-21H,4,13H2,1-3H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 315.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111382254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).