N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H17F3N2 — CID 107494795

IUPACN'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-10(11-5-3-2-4-6-11)17(8-7-16)9-12(13,14)15/h2-6,10H,7-9,16H2,1H3
InChIKeyQXEXDNSCWSNNMI-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.57
Rot. Bonds5

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

N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494795) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494795
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(c1ccccc1)N(CCN)CC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-10(11-5-3-2-4-6-11)17(8-7-16)9-12(13,14)15/h2-6,10H,7-9,16H2,1H3
InChIKeyQXEXDNSCWSNNMI-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-phenylethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 112501735
N'-benzyl-N'-[1-(3,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 106511356
N'-butan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494664
2-[1-(4-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266261
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
2-[1-[4-(dimethylamino)phenyl]ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263704
N'-benzyl-N'-[1-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 106511300
N'-(1-phenylethyl)-N'-propylbut-2-yne-1,4-diamine
CID 67917354
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
N'-benzyl-N'-[1-(3-chlorophenyl)ethyl]ethane-1,2-diamine
CID 106511328

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494795) is N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(c1ccccc1)N(CCN)CC(F)(F)F.
What is the InChIKey of N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QXEXDNSCWSNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-10(11-5-3-2-4-6-11)17(8-7-16)9-12(13,14)15/h2-6,10H,7-9,16H2,1H3.
What are the key properties of N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).