2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine

C14H21F3N2 — CID 119929132

IUPAC2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-10(2)13(3,9-18)19-8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,19H,8-9,18H2,1-3H3
InChIKeyJPDHLQFKZIHAAA-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.17
Rot. Bonds5

About 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine

2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine (PubChem CID 119929132) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
PubChem CID119929132
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3N2/c1-10(2)13(3,9-18)19-8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,19H,8-9,18H2,1-3H3
InChIKeyJPDHLQFKZIHAAA-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-3-amine
CID 61468668
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
1-bromo-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009971
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 112738187

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine (CID 119929132) is 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine is CC(C)C(C)(CN)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine?
The InChIKey is JPDHLQFKZIHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10(2)13(3,9-18)19-8-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,19H,8-9,18H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine?
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine is sourced from PubChem (CID 119929132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).