2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine

C13H21FN2 — CID 61413159

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-13(2,10-15)16(3)9-11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyPGUSJDUFJCVJSZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.38
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 61413159) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
PubChem CID61413159
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-13(2,10-15)16(3)9-11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3
InChIKeyPGUSJDUFJCVJSZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62272643
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 114831127
2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
CID 62009172
2-ethyl-N'-(4-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259232
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
2-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 28798833

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine (CID 61413159) is 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine is CCC(C)(CN)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is PGUSJDUFJCVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-13(2,10-15)16(3)9-11-5-7-12(14)8-6-11/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine?
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 61413159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).