N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H23F3N2O — CID 107521259

IUPACN'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCOCCN(CC)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2O/c1-3-20(9-10-21-4-2)11-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3
InChIKeyRWEBPNBJNRKJNS-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.06
Rot. Bonds8

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

N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 107521259) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID107521259
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCOCCN(CC)CC(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H23F3N2O/c1-3-20(9-10-21-4-2)11-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3
InChIKeyRWEBPNBJNRKJNS-UHFFFAOYSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
N'-methyl-N'-(2-propan-2-yloxyethyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521840
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379
N'-(2,2-dimethylpropyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520629
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
N'-ethyl-N'-(2-methoxyethyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107520238
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 107521259) is N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCOCCN(CC)CC(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is RWEBPNBJNRKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-20(9-10-21-4-2)11-14(19)12-5-7-13(8-6-12)15(16,17)18/h5-8,14H,3-4,9-11,19H2,1-2H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-ethyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107521259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).