1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine

C12H19FN2 — CID 43271043

IUPAC1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-3-8-15(2)12(9-14)10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyZMPGAJFQTYPAQA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.17
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine

1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine (PubChem CID 43271043) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
PubChem CID43271043
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
SMILESCCCN(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C12H19FN2/c1-3-8-15(2)12(9-14)10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyZMPGAJFQTYPAQA-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657342
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(2,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271035
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
N-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 60985647
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-N-propylethane-1,2-diamine
CID 115350824
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
3-[[2-amino-1-(4-fluorophenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016728
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine (CID 43271043) is 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine is CCCN(C)C(CN)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
The InChIKey is ZMPGAJFQTYPAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-8-15(2)12(9-14)10-4-6-11(13)7-5-10/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine?
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43271043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).