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

C13H21FN2 — CID 79811279

IUPAC1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-4-13(2,15)10-16(3)9-11-7-5-6-8-12(11)14/h5-8H,4,9-10,15H2,1-3H3
InChIKeyVQQJKNIZACWHLO-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.38
Rot. Bonds5

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

1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine (PubChem CID 79811279) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
PubChem CID79811279
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(N)CN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-4-13(2,15)10-16(3)9-11-7-5-6-8-12(11)14/h5-8H,4,9-10,15H2,1-3H3
InChIKeyVQQJKNIZACWHLO-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

N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
3-[(2-fluorophenyl)methyl-methylamino]-2-methyl-2-phenylpropan-1-ol
CID 62264951
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843
2-(bromomethyl)-N-[(2-fluorophenyl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005275
1-N-[(2-fluorophenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452352
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
1-(2-fluorophenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258763
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine (CID 79811279) is 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine is CCC(C)(N)CN(C)Cc1ccccc1F.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine?
The InChIKey is VQQJKNIZACWHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-13(2,15)10-16(3)9-11-7-5-6-8-12(11)14/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine?
1-N-[(2-fluorophenyl)methyl]-1-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 1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79811279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).