4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol

C20H27NO3 — CID 119165275

IUPAC4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
SMILESCOc1ccc(C(C)NC(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-14(5-6-16-7-10-18(22)11-8-16)21-15(2)17-9-12-19(23-3)20(13-17)24-4/h7-15,21-22H,5-6H2,1-4H3
InChIKeySDSWKLMHNVSCPT-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.08
Rot. Bonds8

About 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol

4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol (PubChem CID 119165275) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
PubChem CID119165275
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
SMILESCOc1ccc(C(C)NC(C)CCc2ccc(O)cc2)cc1OC
InChIInChI=1S/C20H27NO3/c1-14(5-6-16-7-10-18(22)11-8-16)21-15(2)17-9-12-19(23-3)20(13-17)24-4/h7-15,21-22H,5-6H2,1-4H3
InChIKeySDSWKLMHNVSCPT-UHFFFAOYSA-N
XLogP4.08
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,4-dimethoxyphenyl)butyl]phenol
CID 91095418
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-(2-methoxyphenyl)butan-2-amine;hydrochloride
CID 175344484
4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165274
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-methylheptan-2-amine
CID 43111176
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211
3-[1-(3,4-dimethoxyphenyl)ethylamino]butanenitrile
CID 61174710
4-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 61237653
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
methyl (2S)-2-[4-(4-hydroxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43452164
4-[3-[[2-hydroxy-1-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 67719171

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol (CID 119165275) is 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol is COc1ccc(C(C)NC(C)CCc2ccc(O)cc2)cc1OC.
What is the InChIKey of 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The InChIKey is SDSWKLMHNVSCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14(5-6-16-7-10-18(22)11-8-16)21-15(2)17-9-12-19(23-3)20(13-17)24-4/h7-15,21-22H,5-6H2,1-4H3.
What are the key properties of 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol?
4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol is sourced from PubChem (CID 119165275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).