2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol

C20H27NO3 — CID 10806259

IUPAC2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
SMILESCOc1ccc(CCC(C)NCCc2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C20H27NO3/c1-15(4-5-16-6-9-18(23-2)10-7-16)21-13-12-17-8-11-19(22)20(14-17)24-3/h6-11,14-15,21-22H,4-5,12-13H2,1-3H3
InChIKeyXBVDRYPOTWAVOD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.56
Rot. Bonds9

About 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol

2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol (PubChem CID 10806259) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
PubChem CID10806259
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol
SMILESCOc1ccc(CCC(C)NCCc2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C20H27NO3/c1-15(4-5-16-6-9-18(23-2)10-7-16)21-13-12-17-8-11-19(22)20(14-17)24-3/h6-11,14-15,21-22H,4-5,12-13H2,1-3H3
InChIKeyXBVDRYPOTWAVOD-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
N-[2-(5,6-dimethoxy-3-pyridinyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 91665629
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
CID 71276956
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
CID 144539772
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
2-methoxy-4-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 71277050
4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
CID 77253546
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol (CID 10806259) is 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol is COc1ccc(CCC(C)NCCc2ccc(O)c(OC)c2)cc1.
What is the InChIKey of 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol?
The InChIKey is XBVDRYPOTWAVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-15(4-5-16-6-9-18(23-2)10-7-16)21-13-12-17-8-11-19(22)20(14-17)24-3/h6-11,14-15,21-22H,4-5,12-13H2,1-3H3.
What are the key properties of 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol?
2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]phenol is sourced from PubChem (CID 10806259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).