1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride

C18H24ClNO4 — CID 17295818

IUPAC1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCC(O)c2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-21-16-9-13(10-17(22-2)18(16)23-3)11-19-12-15(20)14-7-5-4-6-8-14;/h4-10,15,19-20H,11-12H2,1-3H3;1H
InChIKeyNFTXJHYBDCLZBV-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.96
Rot. Bonds8

About 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride

1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride (PubChem CID 17295818) has the molecular formula C18H24ClNO4 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
PubChem CID17295818
Molecular FormulaC18H24ClNO4
Molecular Weight353.85 g/mol
Exact Mass353.14
IUPAC Name1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCC(O)c2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C18H23NO4.ClH/c1-21-16-9-13(10-17(22-2)18(16)23-3)11-19-12-15(20)14-7-5-4-6-8-14;/h4-10,15,19-20H,11-12H2,1-3H3;1H
InChIKeyNFTXJHYBDCLZBV-UHFFFAOYSA-N
XLogP2.96
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622
(1R)-2-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylamino]-1-phenylethanol
CID 8623169
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17054533
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
(1S)-2-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylethanol
CID 8637889
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride (CID 17295818) is 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride is COc1cc(CNCC(O)c2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is NFTXJHYBDCLZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4.ClH/c1-21-16-9-13(10-17(22-2)18(16)23-3)11-19-12-15(20)14-7-5-4-6-8-14;/h4-10,15,19-20H,11-12H2,1-3H3;1H.
What are the key properties of 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride?
1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17295818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).