N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C15H23F3N2 — CID 43295551

IUPACN-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2/c1-4-11(2)10-20(3)14(9-19)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,14H,4,9-10,19H2,1-3H3
InChIKeyKXMPGHCNRIUBFL-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.68
Rot. Bonds6

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

N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 43295551) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID43295551
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCCC(C)CN(C)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H23F3N2/c1-4-11(2)10-20(3)14(9-19)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,14H,4,9-10,19H2,1-3H3
InChIKeyKXMPGHCNRIUBFL-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79481720
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-methyl-N-(oxan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43610867
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 119581679
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 43295551) is N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CCC(C)CN(C)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is KXMPGHCNRIUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-11(2)10-20(3)14(9-19)12-6-5-7-13(8-12)15(16,17)18/h5-8,11,14H,4,9-10,19H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43295551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).