N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine

C13H21FN2 — CID 115204355

IUPACN-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-13(2,7-8-15)10-16(3)12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeySKXIAUNRKQSZNW-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.64
Rot. Bonds5

About N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine

N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 115204355) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID115204355
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CC(C)(C)CCN)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-13(2,7-8-15)10-16(3)12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeySKXIAUNRKQSZNW-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62487752
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62259628
N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
CID 155197841
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 115204355) is N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine is CN(CC(C)(C)CCN)c1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is SKXIAUNRKQSZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,7-8-15)10-16(3)12-6-4-5-11(14)9-12/h4-6,9H,7-8,10,15H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine?
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).