N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

C21H27F3N2 — CID 142134445

IUPACN',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H27F3N2/c1-4-26(5-2)15-14-25(3)16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21(22,23)24/h6-13H,4-5,14-16H2,1-3H3
InChIKeySETQFHCVWJBGOF-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.15
Rot. Bonds8

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

N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 142134445) has the molecular formula C21H27F3N2 and a molecular weight of 364.46 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID142134445
Molecular FormulaC21H27F3N2
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC NameN',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H27F3N2/c1-4-26(5-2)15-14-25(3)16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21(22,23)24/h6-13H,4-5,14-16H2,1-3H3
InChIKeySETQFHCVWJBGOF-UHFFFAOYSA-N
XLogP5.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
2-bromo-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80679836
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
5-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pentanoic acid
CID 118457380
N-[2-(diethylamino)ethyl]-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]acetamide
CID 173269048
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
N'-ethyl-N'-(2-methoxyethyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 168901210
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
N-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 154621355

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (CID 142134445) is N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCN(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is SETQFHCVWJBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2/c1-4-26(5-2)15-14-25(3)16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21(22,23)24/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 364.46 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 142134445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).