2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

C12H19FN2 — CID 115132755

IUPAC2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyIBGNSONKCAJAJE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.91
Rot. Bonds5

About 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine

2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132755) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132755
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14-15H,8-9H2,1-3H3
InChIKeyIBGNSONKCAJAJE-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 43434198
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132665
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
2-N-[(5-chloro-2-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132726
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115132755) is 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is IBGNSONKCAJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(2,9-14-3)15-8-10-5-4-6-11(13)7-10/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).