1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine

C12H19FN2 — CID 116949684

IUPAC1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-9(8-14)7-12(15-2)10-3-5-11(13)6-4-10/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyNNRTVTQUQSJBCB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.07
Rot. Bonds5

About 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine

1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine (PubChem CID 116949684) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
PubChem CID116949684
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine
SMILESCNC(CC(C)CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-9(8-14)7-12(15-2)10-3-5-11(13)6-4-10/h3-6,9,12,15H,7-8,14H2,1-2H3
InChIKeyNNRTVTQUQSJBCB-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

1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524319
(2R)-2-(4-fluorophenyl)propan-1-amine;hydrochloride
CID 170910887
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949707
4-[3-methyl-1-(methylamino)butyl]aniline
CID 116951997
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
3-(4-fluorophenyl)-2-methylbutan-1-amine
CID 81010865

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine (CID 116949684) is 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine is CNC(CC(C)CN)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine?
The InChIKey is NNRTVTQUQSJBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(8-14)7-12(15-2)10-3-5-11(13)6-4-10/h3-6,9,12,15H,7-8,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine?
1-(4-fluorophenyl)-N,3-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-(4-fluorophenyl)-N,3-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).