2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride

C20H21Cl2NO2 — CID 17332091

IUPAC2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(-c2ccc(Cl)cc2)o1)C(O)c1ccccc1.Cl
InChIInChI=1S/C20H20ClNO2.ClH/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15;/h2-12,14,20,22-23H,13H2,1H3;1H
InChIKeyAKMNMFOTPZMKNT-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.23
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 17332091) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID17332091
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(-c2ccc(Cl)cc2)o1)C(O)c1ccccc1.Cl
InChIInChI=1S/C20H20ClNO2.ClH/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15;/h2-12,14,20,22-23H,13H2,1H3;1H
InChIKeyAKMNMFOTPZMKNT-UHFFFAOYSA-N
XLogP5.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-phenyl-2-[(5-phenylfuran-2-yl)methylamino]propan-1-ol
CID 8621990
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916
(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
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
CID 82312968
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 17332091) is 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride is CC(NCc1ccc(-c2ccc(Cl)cc2)o1)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is AKMNMFOTPZMKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2.ClH/c1-14(20(23)16-5-3-2-4-6-16)22-13-18-11-12-19(24-18)15-7-9-17(21)10-8-15;/h2-12,14,20,22-23H,13H2,1H3;1H.
What are the key properties of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17332091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).