N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine

C14H15F2NO — CID 43496452

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

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

N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 43496452) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID43496452
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C14H15F2NO/c1-2-7-17-14(13-4-3-8-18-13)10-5-6-11(15)12(16)9-10/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyXMXPQCAKMXOEOJ-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-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
N-[(4-bromo-3-chlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81290836
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
N-[furan-2-yl-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185696
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
6-[furan-2-yl(propylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62298953
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine (CID 43496452) is N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)c1ccco1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is XMXPQCAKMXOEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-2-7-17-14(13-4-3-8-18-13)10-5-6-11(15)12(16)9-10/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(3,4-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-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43496452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).