1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine

C11H16F2N2 — CID 62064444

IUPAC1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5,7,14H2,1H3
InChIKeyOQZIZRQZHNKJPD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.96
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine

1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine (PubChem CID 62064444) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
PubChem CID62064444
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5,7,14H2,1H3
InChIKeyOQZIZRQZHNKJPD-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
3-[[2-amino-1-(2,4-difluorophenyl)ethyl]amino]propan-1-ol
CID 65378664
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
1-(2,4-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 43496303
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
1-(2,4-difluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912601
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593
1-(2,4-difluorophenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105143692
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
N-[1-(2,4-difluorophenyl)-2-phenoxyethyl]propan-1-amine
CID 62800553
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine (CID 62064444) is 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine is CCCNC(CN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine?
The InChIKey is OQZIZRQZHNKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-2-5-15-11(7-14)9-4-3-8(12)6-10(9)13/h3-4,6,11,15H,2,5,7,14H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine?
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 62064444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).