2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol

C15H18ClNO2 — CID 4723603

IUPAC2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3
InChIKeyRUYYDWPPSUJXDV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.46
Rot. Bonds6

About 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 4723603) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID4723603
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H18ClNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3
InChIKeyRUYYDWPPSUJXDV-UHFFFAOYSA-N
XLogP3.46
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol with MolForge

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Related Compounds

(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
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
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
1-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-3-methylpentyl]piperidin-4-ol
CID 70930549
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
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 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol (CID 4723603) is 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is RUYYDWPPSUJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-13(10-18)17-9-14-7-8-15(19-14)11-3-5-12(16)6-4-11/h3-8,13,17-18H,2,9-10H2,1H3.
What are the key properties of 2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol?
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 3.46, 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]butan-1-ol is sourced from PubChem (CID 4723603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).