3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine

C13H21FN2 — CID 43830303

IUPAC3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
SMILESCCC(N)(c1ccc(F)cc1)C(C)N(C)C
InChIInChI=1S/C13H21FN2/c1-5-13(15,10(2)16(3)4)11-6-8-12(14)9-7-11/h6-10H,5,15H2,1-4H3
InChIKeyKTAWNXFLONDLSX-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.34
Rot. Bonds4

About 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine

3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine (PubChem CID 43830303) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
PubChem CID43830303
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine
SMILESCCC(N)(c1ccc(F)cc1)C(C)N(C)C
InChIInChI=1S/C13H21FN2/c1-5-13(15,10(2)16(3)4)11-6-8-12(14)9-7-11/h6-10H,5,15H2,1-4H3
InChIKeyKTAWNXFLONDLSX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-3-(4-fluorophenyl)-5-methylhexane-2,3-diamine
CID 43830332
bis[[4-amino-4-(4-fluorophenyl)hexan-3-yl]oxy]-oxophosphanium
CID 174747647
3-(4-tert-butylphenyl)-2-methylpentan-3-amine
CID 63408030
3-(4-chlorophenyl)-2-N,2-N-dimethylhex-5-ene-2,3-diamine
CID 43830754
methyl 3-(4-fluorophenyl)-3-hydroxy-2-methylpentanoate
CID 62393286
2-N,2-N,5-trimethyl-3-phenylhex-5-ene-2,3-diamine
CID 43829541
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449
1-(azepan-1-yl)-2-(4-fluorophenyl)-3-methylbutan-2-amine
CID 43830467
2-(4-fluorophenyl)-3-methyl-1-piperidin-1-ylbutan-2-amine
CID 43830466
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 79061366
2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine?
The IUPAC name of 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine (CID 43830303) is 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine is CCC(N)(c1ccc(F)cc1)C(C)N(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine?
The InChIKey is KTAWNXFLONDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-13(15,10(2)16(3)4)11-6-8-12(14)9-7-11/h6-10H,5,15H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine?
3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-N,2-N-dimethylpentane-2,3-diamine is sourced from PubChem (CID 43830303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).