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

C13H21FN2 — CID 79053079

IUPAC1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-13(2,16(3)4)12(15)9-10-7-5-6-8-11(10)14/h5-8,12H,9,15H2,1-4H3
InChIKeyNHYBJJSLONSAEZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.04
Rot. Bonds4

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

1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 79053079) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID79053079
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCN(C)C(C)(C)C(N)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-13(2,16(3)4)12(15)9-10-7-5-6-8-11(10)14/h5-8,12H,9,15H2,1-4H3
InChIKeyNHYBJJSLONSAEZ-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052980
3-(azepan-1-yl)-1-(2-fluorophenyl)-3-methylbutan-2-amine
CID 79050643
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103048857
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
1-[2-(bromomethyl)-3,3-dimethylbutyl]-2-fluorobenzene
CID 83143186
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 79053079) is 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is CN(C)C(C)(C)C(N)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is NHYBJJSLONSAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,16(3)4)12(15)9-10-7-5-6-8-11(10)14/h5-8,12H,9,15H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 79053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).