N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

C17H29FN2 — CID 63495763

IUPACN-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-7-17(5,12-19-16(2,3)4)13-20(6)15-10-8-9-14(18)11-15/h8-11,19H,7,12-13H2,1-6H3
InChIKeyCSOCUTYSUYIFEL-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.07
Rot. Bonds6

About N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine

N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 63495763) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID63495763
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)c1cccc(F)c1
InChIInChI=1S/C17H29FN2/c1-7-17(5,12-19-16(2,3)4)13-20(6)15-10-8-9-14(18)11-15/h8-11,19H,7,12-13H2,1-6H3
InChIKeyCSOCUTYSUYIFEL-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62259628
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495574
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 63495152
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
N-tert-butyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260778
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260071

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine (CID 63495763) is N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is CSOCUTYSUYIFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-17(5,12-19-16(2,3)4)13-20(6)15-10-8-9-14(18)11-15/h8-11,19H,7,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine?
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 63495763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).