2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine

C15H23F3N2 — CID 107441658

IUPAC2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
SMILESCC(NCC(CN)C(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2/c1-10(2)13(8-19)9-20-11(3)12-5-4-6-14(7-12)15(16,17)18/h4-7,10-11,13,20H,8-9,19H2,1-3H3
InChIKeyNSGPMNUZTMVNQV-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.59
Rot. Bonds6

About 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine

2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine (PubChem CID 107441658) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
PubChem CID107441658
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
SMILESCC(NCC(CN)C(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2/c1-10(2)13(8-19)9-20-11(3)12-5-4-6-14(7-12)15(16,17)18/h4-7,10-11,13,20H,8-9,19H2,1-3H3
InChIKeyNSGPMNUZTMVNQV-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1S)-1-(3-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442499
2-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 107440958
2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 55023215
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
N'-[1-(3,4-dimethoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441990
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine (CID 107441658) is 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine is CC(NCC(CN)C(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine?
The InChIKey is NSGPMNUZTMVNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-10(2)13(8-19)9-20-11(3)12-5-4-6-14(7-12)15(16,17)18/h4-7,10-11,13,20H,8-9,19H2,1-3H3.
What are the key properties of 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine?
2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine is sourced from PubChem (CID 107441658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).