N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C14H21F3N2 — CID 43265565

IUPACN-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-4-19(10(2)3)13(9-18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13H,4,9,18H2,1-3H3
InChIKeyKTFRZVNDZNQDHQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.44
Rot. Bonds5

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

N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 43265565) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID43265565
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(C(C)C)C(CN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-4-19(10(2)3)13(9-18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13H,4,9,18H2,1-3H3
InChIKeyKTFRZVNDZNQDHQ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 81436418
N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693245
N-(2-methoxyethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 61427131
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N-(cyclobutylmethyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 62861994
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
N-ethyl-1-(4-ethylphenyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011210
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 43265565) is N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCN(C(C)C)C(CN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is KTFRZVNDZNQDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-19(10(2)3)13(9-18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10,13H,4,9,18H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43265565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).