1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C16H25F3N2 — CID 62427202

IUPAC1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(CCC)CC(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-3-10-20-12-15(14-8-6-5-7-9-14)21(11-4-2)13-16(17,18)19/h5-9,15,20H,3-4,10-13H2,1-2H3
InChIKeyVLDMSDZGTDDWST-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.00
Rot. Bonds9

About 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62427202) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62427202
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCNCC(c1ccccc1)N(CCC)CC(F)(F)F
InChIInChI=1S/C16H25F3N2/c1-3-10-20-12-15(14-8-6-5-7-9-14)21(11-4-2)13-16(17,18)19/h5-9,15,20H,3-4,10-13H2,1-2H3
InChIKeyVLDMSDZGTDDWST-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-propan-2-yl-N'-propyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62426442
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-ethyl-N-methyl-1-phenyl-N'-propylethane-1,2-diamine
CID 62419505
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propylethane-1,2-diamine
CID 62422184
1-phenyl-N,N-bis(prop-2-enyl)-N'-propylethane-1,2-diamine
CID 62439186
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
3-[ethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanethioamide
CID 55117640
1-N-(2-methylpropyl)-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 55073773
N,N-diethyl-N'-(3-methoxypropyl)-1-phenylethane-1,2-diamine
CID 54935460
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62427202) is 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCNCC(c1ccccc1)N(CCC)CC(F)(F)F.
What is the InChIKey of 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VLDMSDZGTDDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-3-10-20-12-15(14-8-6-5-7-9-14)21(11-4-2)13-16(17,18)19/h5-9,15,20H,3-4,10-13H2,1-2H3.
What are the key properties of 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 302.38 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62427202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).