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

C14H15ClFNO — CID 63949419

IUPACN-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyBULFNOUXXLPXRD-UHFFFAOYSA-N
MW267.73 g/mol
LogP4.16
Rot. Bonds5

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

N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 63949419) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID63949419
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H15ClFNO/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyBULFNOUXXLPXRD-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63419672
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine (CID 63949419) is N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is BULFNOUXXLPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-2-6-17-14(10-5-7-18-9-10)12-4-3-11(16)8-13(12)15/h3-5,7-9,14,17H,2,6H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 267.73 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63949419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).