1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride

C19H26ClNO4 — CID 54605246

IUPAC1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2cc(OC)c(OC)c(OC)c2)cc1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-21-15-8-6-14(7-9-15)16(20)10-5-13-11-17(22-2)19(24-4)18(12-13)23-3;/h6-9,11-12,16H,5,10,20H2,1-4H3;1H
InChIKeyYWPBEINGPCMARD-UHFFFAOYSA-N
MW367.87 g/mol
LogP3.78
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride

1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride (PubChem CID 54605246) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride
PubChem CID54605246
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride
SMILESCOc1ccc(C(N)CCc2cc(OC)c(OC)c(OC)c2)cc1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-21-15-8-6-14(7-9-15)16(20)10-5-13-11-17(22-2)19(24-4)18(12-13)23-3;/h6-9,11-12,16H,5,10,20H2,1-4H3;1H
InChIKeyYWPBEINGPCMARD-UHFFFAOYSA-N
XLogP3.78
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 43099758
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1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
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1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
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CID 103008702
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
5-(3-hydroxy-4,5-dimethoxyphenyl)-2-(4-methoxyphenyl)pentanamide
CID 67845348
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
CID 105095438
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
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CID 119126875

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride (CID 54605246) is 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride is COc1ccc(C(N)CCc2cc(OC)c(OC)c(OC)c2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is YWPBEINGPCMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.ClH/c1-21-15-8-6-14(7-9-15)16(20)10-5-13-11-17(22-2)19(24-4)18(12-13)23-3;/h6-9,11-12,16H,5,10,20H2,1-4H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride?
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 54605246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).