1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

C17H28F2N2 — CID 79059100

IUPAC1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28F2N2/c1-6-11-20-16(17(7-2,8-3)21(4)5)13-9-10-14(18)15(19)12-13/h9-10,12,16,20H,6-8,11H2,1-5H3
InChIKeyIZEGSRXZHWZLQC-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.13
Rot. Bonds8

About 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 79059100) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
PubChem CID79059100
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H28F2N2/c1-6-11-20-16(17(7-2,8-3)21(4)5)13-9-10-14(18)15(19)12-13/h9-10,12,16,20H,6-8,11H2,1-5H3
InChIKeyIZEGSRXZHWZLQC-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063885
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
N-[(3,4-difluorophenyl)-phenylmethyl]propan-1-amine
CID 43494885
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
2-ethyl-1-(4-fluorophenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062004
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
N-[2-tert-butylsulfanyl-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 65132803
1-(3,4-difluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79093220
1-N,2-diethyl-1-(2-fluoro-5-methylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061182
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (CID 79059100) is 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1ccc(F)c(F)c1)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is IZEGSRXZHWZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2/c1-6-11-20-16(17(7-2,8-3)21(4)5)13-9-10-14(18)15(19)12-13/h9-10,12,16,20H,6-8,11H2,1-5H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 298.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethyl-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 79059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).