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

C14H22F2N2 — CID 116913506

IUPAC1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-9(2)11(8-17)14(18(3)4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14H,8,17H2,1-4H3
InChIKeyOETQDILUVHQJBZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.80
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116913506) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116913506
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)C(c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-9(2)11(8-17)14(18(3)4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14H,8,17H2,1-4H3
InChIKeyOETQDILUVHQJBZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)-(dimethylamino)methyl]-3-methylbutan-1-ol
CID 116913438
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486
1-(3,4-difluorophenyl)-N-(3,3-dimethylbutan-2-yl)-N-methylethane-1,2-diamine
CID 55011696
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
CID 82282338
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1-(3,4-difluorophenyl)-2-ethyl-N,N,N'-trimethylpropane-1,3-diamine
CID 116913878
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913495
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine (CID 116913506) is 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)C(c1ccc(F)c(F)c1)N(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is OETQDILUVHQJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-9(2)11(8-17)14(18(3)4)10-5-6-12(15)13(16)7-10/h5-7,9,11,14H,8,17H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine?
1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).