1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

C13H21FN2 — CID 115136234

IUPAC1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1ccc(F)cc1)CC(C)(C)N
InChIInChI=1S/C13H21FN2/c1-13(2,15)10-16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-10,15H2,1-3H3
InChIKeyGYIBTGUAEJLLAW-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.04
Rot. Bonds5

About 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine

1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136234) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136234
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCN(CCc1ccc(F)cc1)CC(C)(C)N
InChIInChI=1S/C13H21FN2/c1-13(2,15)10-16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-10,15H2,1-3H3
InChIKeyGYIBTGUAEJLLAW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136244
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
N'-[2-(4-fluorophenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 94259582
1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
1-amino-3-[2-(4-fluorophenyl)ethyl-methylamino]propan-2-ol
CID 115121707
1-N-[(4-chlorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 61414760
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-[2-(4-fluorophenyl)ethyl-methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110903446
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136234) is 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is CN(CCc1ccc(F)cc1)CC(C)(C)N.
What is the InChIKey of 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is GYIBTGUAEJLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,15)10-16(3)9-8-11-4-6-12(14)7-5-11/h4-7H,8-10,15H2,1-3H3.
What are the key properties of 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-fluorophenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).