N-[bis(2,3-difluorophenyl)methyl]propan-1-amine

C16H15F4N — CID 115862083

IUPACN-[bis(2,3-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C16H15F4N/c1-2-9-21-16(10-5-3-7-12(17)14(10)19)11-6-4-8-13(18)15(11)20/h3-8,16,21H,2,9H2,1H3
InChIKeyDYXFEMHCMFOPFZ-UHFFFAOYSA-N
MW297.29 g/mol
LogP4.33
Rot. Bonds5

About N-[bis(2,3-difluorophenyl)methyl]propan-1-amine

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine (PubChem CID 115862083) has the molecular formula C16H15F4N and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[bis(2,3-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[bis(2,3-difluorophenyl)methyl]propan-1-amine
PubChem CID115862083
Molecular FormulaC16H15F4N
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC NameN-[bis(2,3-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C16H15F4N/c1-2-9-21-16(10-5-3-7-12(17)14(10)19)11-6-4-8-13(18)15(11)20/h3-8,16,21H,2,9H2,1H3
InChIKeyDYXFEMHCMFOPFZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,3-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[bis(2,3-difluorophenyl)methyl]propan-1-amine (CID 115862083) is N-[bis(2,3-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[bis(2,3-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[bis(2,3-difluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1F)c1cccc(F)c1F.
What is the InChIKey of N-[bis(2,3-difluorophenyl)methyl]propan-1-amine?
The InChIKey is DYXFEMHCMFOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-9-21-16(10-5-3-7-12(17)14(10)19)11-6-4-8-13(18)15(11)20/h3-8,16,21H,2,9H2,1H3.
What are the key properties of N-[bis(2,3-difluorophenyl)methyl]propan-1-amine?
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine has a molecular weight of 297.29 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2,3-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115862083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).