3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine

C15H25FN2 — CID 105374110

IUPAC3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1cc(F)ccc1C)CN(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-17-15(11-18(3)4)10-13-9-14(16)7-6-12(13)2/h6-7,9,15,17H,5,8,10-11H2,1-4H3
InChIKeyALQVIKOPMPVKHW-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.61
Rot. Bonds7

About 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine

3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (PubChem CID 105374110) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
PubChem CID105374110
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1cc(F)ccc1C)CN(C)C
InChIInChI=1S/C15H25FN2/c1-5-8-17-15(11-18(3)4)10-13-9-14(16)7-6-12(13)2/h6-7,9,15,17H,5,8,10-11H2,1-4H3
InChIKeyALQVIKOPMPVKHW-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
1-(5-fluoro-2-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105373823
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-N,1-N-dimethyl-2-N-propyl-3-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 79088757
N-ethyl-1-(5-fluoro-2-methylphenyl)hexan-2-amine
CID 105374122
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
3-(3,5-dimethylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089402
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
N-[2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 105374194

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (CID 105374110) is 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine is CCCNC(Cc1cc(F)ccc1C)CN(C)C.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The InChIKey is ALQVIKOPMPVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-8-17-15(11-18(3)4)10-13-9-14(16)7-6-12(13)2/h6-7,9,15,17H,5,8,10-11H2,1-4H3.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 105374110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).