N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H21F3N2O — CID 43610867

IUPACN-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-20(13-5-7-21-8-6-13)14(10-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,13-14H,5-8,10,19H2,1H3
InChIKeyAAXZEXBAHGITRB-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 43610867) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID43610867
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-20(13-5-7-21-8-6-13)14(10-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,13-14H,5-8,10,19H2,1H3
InChIKeyAAXZEXBAHGITRB-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[3-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 113328796
1-(3,4-dichlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610889
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610904
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 65021918
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 43610896
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43295551
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-N-methyloxan-4-amine
CID 43610591
N-methyl-N-(oxan-4-yl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495950
2-[[(R)-oxan-4-yl-[3-(trifluoromethyl)phenyl]methyl]amino]acetonitrile
CID 124881063

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 43610867) is N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(C1CCOCC1)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is AAXZEXBAHGITRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-20(13-5-7-21-8-6-13)14(10-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,13-14H,5-8,10,19H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43610867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).