2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol

C16H20ClNO3 — CID 4724459

IUPAC2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyONNAIERJZHZLFX-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.47
Rot. Bonds7

About 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol

2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol (PubChem CID 4724459) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
PubChem CID4724459
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3
InChIKeyONNAIERJZHZLFX-UHFFFAOYSA-N
XLogP3.47
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
(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
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425244
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
2-[(5-phenylfuran-2-yl)methylamino]butan-1-ol;hydrochloride
CID 6463695
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724276

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol (CID 4724459) is 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol is CCC(CO)NCc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol?
The InChIKey is ONNAIERJZHZLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-3-12(10-19)18-9-13-5-7-15(21-13)11-4-6-16(20-2)14(17)8-11/h4-8,12,18-19H,3,9-10H2,1-2H3.
What are the key properties of 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol?
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol has a molecular weight of 309.79 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol is sourced from PubChem (CID 4724459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).