(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol

C20H20ClNO2 — CID 8636993

IUPAC(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
SMILESCc1c(Cl)cccc1-c1ccc(CNC[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C20H20ClNO2/c1-14-17(8-5-9-18(14)21)20-11-10-16(24-20)12-22-13-19(23)15-6-3-2-4-7-15/h2-11,19,22-23H,12-13H2,1H3/t19-/m1/s1
InChIKeyCMAPKYOFFHEYDT-LJQANCHMSA-N
MW341.84 g/mol
LogP4.73
Rot. Bonds6

About (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol

(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol (PubChem CID 8636993) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
PubChem CID8636993
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
SMILESCc1c(Cl)cccc1-c1ccc(CNC[C@@H](O)c2ccccc2)o1
InChIInChI=1S/C20H20ClNO2/c1-14-17(8-5-9-18(14)21)20-11-10-16(24-20)12-22-13-19(23)15-6-3-2-4-7-15/h2-11,19,22-23H,12-13H2,1H3/t19-/m1/s1
InChIKeyCMAPKYOFFHEYDT-LJQANCHMSA-N
XLogP4.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636962
(1S,2R)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8636969
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
2-[[5-(4-bromophenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17332249

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol?
The IUPAC name of (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol (CID 8636993) is (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol is Cc1c(Cl)cccc1-c1ccc(CNC[C@@H](O)c2ccccc2)o1.
What is the InChIKey of (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol?
The InChIKey is CMAPKYOFFHEYDT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-14-17(8-5-9-18(14)21)20-11-10-16(24-20)12-22-13-19(23)15-6-3-2-4-7-15/h2-11,19,22-23H,12-13H2,1H3/t19-/m1/s1.
What are the key properties of (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol?
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol has a molecular weight of 341.84 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 8636993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).