1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C14H20BrF3N2 — CID 62619620

IUPAC1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)N(CCC(N)c1ccc(Br)cc1)CC(F)(F)F
InChIInChI=1S/C14H20BrF3N2/c1-10(2)20(9-14(16,17)18)8-7-13(19)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,19H2,1-2H3
InChIKeyIUQBCLVKRPLRHF-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62619620) has the molecular formula C14H20BrF3N2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62619620
Molecular FormulaC14H20BrF3N2
Molecular Weight353.23 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCC(C)N(CCC(N)c1ccc(Br)cc1)CC(F)(F)F
InChIInChI=1S/C14H20BrF3N2/c1-10(2)20(9-14(16,17)18)8-7-13(19)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,19H2,1-2H3
InChIKeyIUQBCLVKRPLRHF-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
1-(4-bromophenyl)-N'-methyl-N'-propylpropane-1,3-diamine
CID 62619765
N-[(4-bromo-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008993
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
1-(4-bromophenyl)-N'-cyclopropyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78991257
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(4-bromophenyl)-N'-cyclopropyl-N'-propylpropane-1,3-diamine
CID 62617872

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62619620) is 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CC(C)N(CCC(N)c1ccc(Br)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is IUQBCLVKRPLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3N2/c1-10(2)20(9-14(16,17)18)8-7-13(19)11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,19H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 353.23 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62619620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).