N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

C14H22F2N2 — CID 115252758

IUPACN-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C14H22F2N2/c1-10(2)11(8-17-3)9-18(4)14-6-5-12(15)7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyCJWDGIYYYJDXKI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.89
Rot. Bonds6

About N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine

N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252758) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252758
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CN(C)c1ccc(F)cc1F)C(C)C
InChIInChI=1S/C14H22F2N2/c1-10(2)11(8-17-3)9-18(4)14-6-5-12(15)7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyCJWDGIYYYJDXKI-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
CID 115251960
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
N,N'-dimethyl-N-(2-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252770
N-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252866
N-[2-(2-fluorophenyl)ethyl]-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252941
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 115252758) is N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is CNCC(CN(C)c1ccc(F)cc1F)C(C)C.
What is the InChIKey of N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is CJWDGIYYYJDXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)11(8-17-3)9-18(4)14-6-5-12(15)7-13(14)16/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine?
N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).