1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

C14H22F2N2 — CID 79063885

IUPAC1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-6-14(2,18(4)5)13(17-3)10-7-8-11(15)12(16)9-10/h7-9,13,17H,6H2,1-5H3
InChIKeyHCKVWCAMFSLFKY-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.96
Rot. Bonds5

About 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine

1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (PubChem CID 79063885) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
PubChem CID79063885
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
SMILESCCC(C)(C(NC)c1ccc(F)c(F)c1)N(C)C
InChIInChI=1S/C14H22F2N2/c1-6-14(2,18(4)5)13(17-3)10-7-8-11(15)12(16)9-10/h7-9,13,17H,6H2,1-5H3
InChIKeyHCKVWCAMFSLFKY-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 106942725
1-(4-chloro-3-methoxyphenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79700151
1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 79059100
1-(3,4-difluorophenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239288
1-(3,4-dimethylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 79069534
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)-1-N-methylbutane-1,2-diamine
CID 79059901
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
1-(3,4-dimethoxyphenyl)-1-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105240484

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine (CID 79063885) is 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is CCC(C)(C(NC)c1ccc(F)c(F)c1)N(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
The InChIKey is HCKVWCAMFSLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-6-14(2,18(4)5)13(17-3)10-7-8-11(15)12(16)9-10/h7-9,13,17H,6H2,1-5H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine?
1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.96, 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)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 79063885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).