4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol

C20H27NO3 — CID 119122211

IUPAC4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
SMILESCCOc1ccc(CNC(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-4-24-19-12-9-17(13-20(19)23-3)14-21-15(2)5-6-16-7-10-18(22)11-8-16/h7-13,15,21-22H,4-6,14H2,1-3H3
InChIKeyRAHJMCVFIUVGPA-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.91
Rot. Bonds9

About 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol

4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol (PubChem CID 119122211) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
PubChem CID119122211
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
SMILESCCOc1ccc(CNC(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-4-24-19-12-9-17(13-20(19)23-3)14-21-15(2)5-6-16-7-10-18(22)11-8-16/h7-13,15,21-22H,4-6,14H2,1-3H3
InChIKeyRAHJMCVFIUVGPA-UHFFFAOYSA-N
XLogP3.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butyl]phenol
CID 119122214
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115697731
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
2-[(4-ethoxy-3-methoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2987537
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol (CID 119122211) is 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol is CCOc1ccc(CNC(C)CCc2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol?
The InChIKey is RAHJMCVFIUVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-24-19-12-9-17(13-20(19)23-3)14-21-15(2)5-6-16-7-10-18(22)11-8-16/h7-13,15,21-22H,4-6,14H2,1-3H3.
What are the key properties of 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol?
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol is sourced from PubChem (CID 119122211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).