1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C14H20ClF3N2 — CID 62644843

IUPAC1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClF3N2/c1-3-19-13(11-4-6-12(15)7-5-11)8-9-20(2)10-14(16,17)18/h4-7,13,19H,3,8-10H2,1-2H3
InChIKeyHZKAVMPQDJNTSV-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.87
Rot. Bonds7

About 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62644843) has the molecular formula C14H20ClF3N2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62644843
Molecular FormulaC14H20ClF3N2
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNC(CCN(C)CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClF3N2/c1-3-19-13(11-4-6-12(15)7-5-11)8-9-20(2)10-14(16,17)18/h4-7,13,19H,3,8-10H2,1-2H3
InChIKeyHZKAVMPQDJNTSV-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
1-(4-chlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 55186414
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-chlorophenyl)-N-ethylhexan-1-amine
CID 43488947
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
1-(4-chlorophenyl)-N'-methyl-N'-(2-methylbutyl)-N-propylpropane-1,3-diamine
CID 63484009
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62644843) is 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCNC(CCN(C)CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is HZKAVMPQDJNTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2/c1-3-19-13(11-4-6-12(15)7-5-11)8-9-20(2)10-14(16,17)18/h4-7,13,19H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 308.78 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62644843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).