N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

C20H25F3N2 — CID 11233414

IUPACN',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-3-25(4-2)14-13-24-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(21,22)23/h5-12,24H,3-4,13-15H2,1-2H3
InChIKeyCQBYREFQWDUSJY-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.80
Rot. Bonds8

About N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 11233414) has the molecular formula C20H25F3N2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID11233414
Molecular FormulaC20H25F3N2
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-3-25(4-2)14-13-24-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(21,22)23/h5-12,24H,3-4,13-15H2,1-2H3
InChIKeyCQBYREFQWDUSJY-UHFFFAOYSA-N
XLogP4.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (CID 11233414) is N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is CQBYREFQWDUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2/c1-3-25(4-2)14-13-24-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(21,22)23/h5-12,24H,3-4,13-15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 350.43 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 11233414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).