N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine

C14H15ClFNO — CID 106887842

IUPACN-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-6-17-9-14-12(5-7-18-14)11-4-3-10(16)8-13(11)15/h3-5,7-8,17H,2,6,9H2,1H3
InChIKeyRZUWRHOPVUXHAB-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.24
Rot. Bonds5

About N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887842) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887842
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC NameN-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-6-17-9-14-12(5-7-18-14)11-4-3-10(16)8-13(11)15/h3-5,7-8,17H,2,6,9H2,1H3
InChIKeyRZUWRHOPVUXHAB-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888317
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[[3-(2,3,4-trifluorophenyl)furan-2-yl]methyl]ethanamine
CID 106887171
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine (CID 106887842) is N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccc(F)cc1Cl.
What is the InChIKey of N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is RZUWRHOPVUXHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-6-17-9-14-12(5-7-18-14)11-4-3-10(16)8-13(11)15/h3-5,7-8,17H,2,6,9H2,1H3.
What are the key properties of N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 267.73 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).