N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine

C15H23F3N2 — CID 62312600

IUPACN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-12(2)20(3)11-7-6-10-19-14-9-5-4-8-13(14)15(16,17)18/h4-5,8-9,12,19H,6-7,10-11H2,1-3H3
InChIKeyMKDODSUYUXFERY-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.24
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine

N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine (PubChem CID 62312600) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
PubChem CID62312600
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1ccccc1C(F)(F)F
InChIInChI=1S/C15H23F3N2/c1-12(2)20(3)11-7-6-10-19-14-9-5-4-8-13(14)15(16,17)18/h4-5,8-9,12,19H,6-7,10-11H2,1-3H3
InChIKeyMKDODSUYUXFERY-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylhexyl)-2-(trifluoromethyl)aniline
CID 115326059
N-[2-bromo-4-(trifluoromethyl)phenyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 115511638
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethyl)aniline
CID 103409295
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
4-[2-(trifluoromethyl)anilino]butanoic acid
CID 18071647
1-N-methyl-3-N-[4-[methyl(propan-2-yl)amino]butyl]-2-nitrobenzene-1,3-diamine
CID 80796438
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine (CID 62312600) is N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine is CC(C)N(C)CCCCNc1ccccc1C(F)(F)F.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine?
The InChIKey is MKDODSUYUXFERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-12(2)20(3)11-7-6-10-19-14-9-5-4-8-13(14)15(16,17)18/h4-5,8-9,12,19H,6-7,10-11H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine?
N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine has a molecular weight of 288.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[2-(trifluoromethyl)phenyl]butane-1,4-diamine is sourced from PubChem (CID 62312600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).