1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

C16H27FN2 — CID 63965642

IUPAC1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(C)(C)N(C)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-6-16(2,3)19(5)12-11-15(18-4)13-7-9-14(17)10-8-13/h7-10,15,18H,6,11-12H2,1-5H3
InChIKeyHHQOKLMMNMYGOT-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.60
Rot. Bonds7

About 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 63965642) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
PubChem CID63965642
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(C)(C)N(C)CCC(NC)c1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-6-16(2,3)19(5)12-11-15(18-4)13-7-9-14(17)10-8-13/h7-10,15,18H,6,11-12H2,1-5H3
InChIKeyHHQOKLMMNMYGOT-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499
1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-pentan-3-ylamino]ethanol
CID 62644893
1-(4-fluorophenyl)-N-methyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 63493912
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62644190

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (CID 63965642) is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is CCC(C)(C)N(C)CCC(NC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is HHQOKLMMNMYGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-16(2,3)19(5)12-11-15(18-4)13-7-9-14(17)10-8-13/h7-10,15,18H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63965642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).