N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C14H21F3N2O — CID 60891559

IUPACN'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(N)CN(C)CC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-10(2)20-12-6-4-11(5-7-12)13(18)8-19(3)9-14(15,16)17/h4-7,10,13H,8-9,18H2,1-3H3
InChIKeyKOAGZLCKZBUXQI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.97
Rot. Bonds6

About N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60891559) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60891559
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCC(C)Oc1ccc(C(N)CN(C)CC(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2O/c1-10(2)20-12-6-4-11(5-7-12)13(18)8-19(3)9-14(15,16)17/h4-7,10,13H,8-9,18H2,1-3H3
InChIKeyKOAGZLCKZBUXQI-UHFFFAOYSA-N
XLogP2.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
1-(3,4-dimethylphenyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60890798
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 61451426
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60891559) is N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CC(C)Oc1ccc(C(N)CN(C)CC(F)(F)F)cc1.
What is the InChIKey of N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KOAGZLCKZBUXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-10(2)20-12-6-4-11(5-7-12)13(18)8-19(3)9-14(15,16)17/h4-7,10,13H,8-9,18H2,1-3H3.
What are the key properties of N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-propan-2-yloxyphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60891559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).