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

C16H15F4N — CID 43496293

IUPACN-[bis(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/c1-2-7-21-16(12-5-3-10(17)8-14(12)19)13-6-4-11(18)9-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyHOKVRRYSFVGRBO-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.33
Rot. Bonds5

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

N-[bis(2,4-difluorophenyl)methyl]propan-1-amine (PubChem CID 43496293) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[bis(2,4-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[bis(2,4-difluorophenyl)methyl]propan-1-amine
PubChem CID43496293
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[bis(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F4N/c1-2-7-21-16(12-5-3-10(17)8-14(12)19)13-6-4-11(18)9-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3
InChIKeyHOKVRRYSFVGRBO-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 ≤ 500297.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 81454841
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(2,4-difluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65152876
N-[(2,4-difluorophenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 62345873
N-[(3-bromo-5-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496254
N-[(2,4-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755255
N-[(2,4-difluorophenyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687635
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
N-[(2-bromo-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495714
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720

Frequently Asked Questions

What is the IUPAC name of N-[bis(2,4-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[bis(2,4-difluorophenyl)methyl]propan-1-amine (CID 43496293) is N-[bis(2,4-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[bis(2,4-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[bis(2,4-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of N-[bis(2,4-difluorophenyl)methyl]propan-1-amine?
The InChIKey is HOKVRRYSFVGRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-2-7-21-16(12-5-3-10(17)8-14(12)19)13-6-4-11(18)9-15(13)20/h3-6,8-9,16,21H,2,7H2,1H3.
What are the key properties of N-[bis(2,4-difluorophenyl)methyl]propan-1-amine?
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine has a molecular weight of 297.30 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(2,4-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).