(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol

C15H17Cl2NO2 — CID 8622629

IUPAC(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m0/s1
InChIKeySCKAFJMISVPZKW-ZDUSSCGKSA-N
MW314.21 g/mol
LogP4.11
Rot. Bonds6

About (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol

(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 8622629) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID8622629
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m0/s1
InChIKeySCKAFJMISVPZKW-ZDUSSCGKSA-N
XLogP4.11
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
CID 7425173
2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]butan-1-ol
CID 43215803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol (CID 8622629) is (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol is CC[C@@H](CO)NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is SCKAFJMISVPZKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-2-13(9-19)18-8-14-3-4-15(20-14)10-5-11(16)7-12(17)6-10/h3-7,13,18-19H,2,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol?
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 314.21 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 8622629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).