4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol

C20H27NO3 — CID 119165274

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

About 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol

4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol (PubChem CID 119165274) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
PubChem CID119165274
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol
SMILESCOc1ccc(C(C)NC(C)CCc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C20H27NO3/c1-14(5-6-16-7-9-17(22)10-8-16)21-15(2)19-12-11-18(23-3)13-20(19)24-4/h7-15,21-22H,5-6H2,1-4H3
InChIKeySCWUHZZHJWJKEY-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-[1-(3,4-dimethoxyphenyl)ethylamino]butyl]phenol
CID 119165275
(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 64629515
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
4-(4-methoxyphenyl)-N-(1-phenylethyl)butan-2-amine
CID 19981570
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The IUPAC name of 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol (CID 119165274) is 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The canonical SMILES for 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol is COc1ccc(C(C)NC(C)CCc2ccc(O)cc2)c(OC)c1.
What is the InChIKey of 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol?
The InChIKey is SCWUHZZHJWJKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-14(5-6-16-7-9-17(22)10-8-16)21-15(2)19-12-11-18(23-3)13-20(19)24-4/h7-15,21-22H,5-6H2,1-4H3.
What are the key properties of 4-[3-[1-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol?
4-[3-[1-(2,4-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-(2,4-dimethoxyphenyl)ethylamino]butyl]phenol is sourced from PubChem (CID 119165274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).