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

C12H19FN2 — CID 61042939

IUPAC1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccccc1F)N(C)C
InChIInChI=1S/C12H19FN2/c1-10(15(2)3)8-14-9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3
InChIKeyVRAXMVPNMXXVCQ-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.87
Rot. Bonds5

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

1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 61042939) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID61042939
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CNCc1ccccc1F)N(C)C
InChIInChI=1S/C12H19FN2/c1-10(15(2)3)8-14-9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3
InChIKeyVRAXMVPNMXXVCQ-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61043808
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
2-chloro-6-[[2-(dimethylamino)propylamino]methyl]phenol
CID 112568738
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
CID 95262158

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine (CID 61042939) is 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine is CC(CNCc1ccccc1F)N(C)C.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is VRAXMVPNMXXVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10(15(2)3)8-14-9-11-6-4-5-7-12(11)13/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine?
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.87, 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]-2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 61042939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).