3,4-dimethyl-2,5-di(propan-2-yl)aniline

C14H23N — CID 19747078

IUPAC3,4-dimethyl-2,5-di(propan-2-yl)aniline
SMILESCc1c(C(C)C)cc(N)c(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-8(2)12-7-13(15)14(9(3)4)11(6)10(12)5/h7-9H,15H2,1-6H3
InChIKeyCCESWWTVDQTWQW-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.13
Rot. Bonds2

About 3,4-dimethyl-2,5-di(propan-2-yl)aniline

3,4-dimethyl-2,5-di(propan-2-yl)aniline (PubChem CID 19747078) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-di(propan-2-yl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-2,5-di(propan-2-yl)aniline
PubChem CID19747078
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3,4-dimethyl-2,5-di(propan-2-yl)aniline
SMILESCc1c(C(C)C)cc(N)c(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-8(2)12-7-13(15)14(9(3)4)11(6)10(12)5/h7-9H,15H2,1-6H3
InChIKeyCCESWWTVDQTWQW-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,5-di(propan-2-yl)aniline?
The IUPAC name of 3,4-dimethyl-2,5-di(propan-2-yl)aniline (CID 19747078) is 3,4-dimethyl-2,5-di(propan-2-yl)aniline.
What is the SMILES notation for 3,4-dimethyl-2,5-di(propan-2-yl)aniline?
The canonical SMILES for 3,4-dimethyl-2,5-di(propan-2-yl)aniline is Cc1c(C(C)C)cc(N)c(C(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-2,5-di(propan-2-yl)aniline?
The InChIKey is CCESWWTVDQTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-8(2)12-7-13(15)14(9(3)4)11(6)10(12)5/h7-9H,15H2,1-6H3.
What are the key properties of 3,4-dimethyl-2,5-di(propan-2-yl)aniline?
3,4-dimethyl-2,5-di(propan-2-yl)aniline has a molecular weight of 205.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-di(propan-2-yl)aniline is sourced from PubChem (CID 19747078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).