1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine

C12H19FN2 — CID 116949640

IUPAC1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccccc1F)C(C)CCN
InChIInChI=1S/C12H19FN2/c1-9(7-8-14)12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyMKSXFMABXKQYCG-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.07
Rot. Bonds5

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

1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 116949640) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
PubChem CID116949640
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1ccccc1F)C(C)CCN
InChIInChI=1S/C12H19FN2/c1-9(7-8-14)12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyMKSXFMABXKQYCG-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpentan-1-amine
CID 107893716
3-(2-fluorophenyl)-4-methylpentan-1-amine
CID 82076064
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 115996832
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine (CID 116949640) is 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine is CNC(c1ccccc1F)C(C)CCN.
What is the InChIKey of 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is MKSXFMABXKQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(7-8-14)12(15-2)10-5-3-4-6-11(10)13/h3-6,9,12,15H,7-8,14H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine?
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).