2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride

C20H21Cl2NO3 — CID 17333046

IUPAC2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(-c2ccc(CNCC(O)c3ccccc3)o2)cc1Cl.Cl
InChIInChI=1S/C20H20ClNO3.ClH/c1-24-20-9-7-15(11-17(20)21)19-10-8-16(25-19)12-22-13-18(23)14-5-3-2-4-6-14;/h2-11,18,22-23H,12-13H2,1H3;1H
InChIKeyCUMWLJSNIPLJEU-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.85
Rot. Bonds7

About 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride

2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride (PubChem CID 17333046) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
PubChem CID17333046
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
SMILESCOc1ccc(-c2ccc(CNCC(O)c3ccccc3)o2)cc1Cl.Cl
InChIInChI=1S/C20H20ClNO3.ClH/c1-24-20-9-7-15(11-17(20)21)19-10-8-16(25-19)12-22-13-18(23)14-5-3-2-4-6-14;/h2-11,18,22-23H,12-13H2,1H3;1H
InChIKeyCUMWLJSNIPLJEU-UHFFFAOYSA-N
XLogP4.85
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211375
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
CID 8636993
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211376
4-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]furan-2-yl]benzoic acid
CID 17056104
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride (CID 17333046) is 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride is COc1ccc(-c2ccc(CNCC(O)c3ccccc3)o2)cc1Cl.Cl.
What is the InChIKey of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is CUMWLJSNIPLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3.ClH/c1-24-20-9-7-15(11-17(20)21)19-10-8-16(25-19)12-22-13-18(23)14-5-3-2-4-6-14;/h2-11,18,22-23H,12-13H2,1H3;1H.
What are the key properties of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride?
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 17333046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).