3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine

C14H16ClNO2 — CID 112519724

IUPAC3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
SMILESNCCCOCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClNO2/c15-12-4-2-11(3-5-12)14-7-6-13(18-14)10-17-9-1-8-16/h2-7H,1,8-10,16H2
InChIKeyLCVWQXQURHKWHR-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.47
Rot. Bonds6

About 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine

3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine (PubChem CID 112519724) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
PubChem CID112519724
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine
SMILESNCCCOCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClNO2/c15-12-4-2-11(3-5-12)14-7-6-13(18-14)10-17-9-1-8-16/h2-7H,1,8-10,16H2
InChIKeyLCVWQXQURHKWHR-UHFFFAOYSA-N
XLogP3.47
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(4-Chlorophenyl)-2-furyl]methanol
CID 738660
2-(4-Chlorophenyl)-2-oxoethyl 2-furoate
CID 587019
Cambridge id 6049248
CID 4108308
5-(5-(4-Chlorophenyl-2-furanyl))dihydro-2(3H)-furanone
CID 163020
Furan-2-ylmethyl 4-chlorobenzoate
CID 4932176
2-(4-Chlorophenyl)-5-(methoxymethyl)furan
CID 102275151
Methyl 5-(4-chlorophenyl)furan-2-carboxylate
CID 11564928
Ethyl 5-(4-chlorophenyl)furan-2-carboxylate
CID 12280374
Ethyl 5-(4-chloro-3-fluorophenyl)furan-2-carboxylate
CID 132091264
Ethyl 5-(acetyloxymethyl)-4-(4-chlorophenyl)furan-2-carboxylate
CID 71505233
Tert-butyl-[[5-(4-chlorophenyl)furan-2-yl]methoxy]-dimethylsilane
CID 176428998
(E)-1-(4-chlorophenyl)-3-[5-[(4-fluorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19552972

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine?
The IUPAC name of 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine (CID 112519724) is 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine?
The canonical SMILES for 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine is NCCCOCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine?
The InChIKey is LCVWQXQURHKWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-12-4-2-11(3-5-12)14-7-6-13(18-14)10-17-9-1-8-16/h2-7H,1,8-10,16H2.
What are the key properties of 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine?
3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)furan-2-yl]methoxy]propan-1-amine is sourced from PubChem (CID 112519724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).