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

C14H15Cl2NO2 — CID 4723653

IUPAC1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-13-2-3-14(19-13)10-4-11(15)6-12(16)5-10/h2-6,9,17-18H,7-8H2,1H3
InChIKeyIHWHFSQVJXLOJS-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.72
Rot. Bonds5

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

1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol (PubChem CID 4723653) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
PubChem CID4723653
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCC(O)CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-13-2-3-14(19-13)10-4-11(15)6-12(16)5-10/h2-6,9,17-18H,7-8H2,1H3
InChIKeyIHWHFSQVJXLOJS-UHFFFAOYSA-N
XLogP3.72
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
(1R,2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8622717
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17333094
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol (CID 4723653) is 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol is CC(O)CNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol?
The InChIKey is IHWHFSQVJXLOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-13-2-3-14(19-13)10-4-11(15)6-12(16)5-10/h2-6,9,17-18H,7-8H2,1H3.
What are the key properties of 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol?
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol has a molecular weight of 300.19 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 4723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).