N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C16H23F3N2 — CID 63955363

IUPACN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(CC1CC1)CC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-3-21(10-12-7-8-12)11-15(20-2)13-5-4-6-14(9-13)16(17,18)19/h4-6,9,12,15,20H,3,7-8,10-11H2,1-2H3
InChIKeyXTGDZQXEWFNIMC-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.70
Rot. Bonds7

About N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 63955363) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID63955363
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCN(CC1CC1)CC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2/c1-3-21(10-12-7-8-12)11-15(20-2)13-5-4-6-14(9-13)16(17,18)19/h4-6,9,12,15,20H,3,7-8,10-11H2,1-2H3
InChIKeyXTGDZQXEWFNIMC-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N'-(cyclobutylmethyl)-N'-ethyl-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 107397996
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 63955363) is N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCN(CC1CC1)CC(NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is XTGDZQXEWFNIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-21(10-12-7-8-12)11-15(20-2)13-5-4-6-14(9-13)16(17,18)19/h4-6,9,12,15,20H,3,7-8,10-11H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 63955363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).