N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine

C14H15F2NO — CID 43496243

IUPACN-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyYQVYCMVNICHWTB-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.65
Rot. Bonds5

About N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 43496243) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID43496243
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyYQVYCMVNICHWTB-UHFFFAOYSA-N
XLogP3.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine (CID 43496243) is N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is YQVYCMVNICHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43496243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).