ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline

C21H33N — CID 144663906

IUPACethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
SMILESCC.CC.Cc1ccc(N(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H21N.2C2H6/c1-14(2)13-18(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17;2*1-2/h4-12,14H,13H2,1-3H3;2*1-2H3
InChIKeyDDKKGRCZXTULEZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP6.84
Rot. Bonds4

About ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline

ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline (PubChem CID 144663906) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline.

Molecular Properties

Compound Nameethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
PubChem CID144663906
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Nameethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline
SMILESCC.CC.Cc1ccc(N(CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H21N.2C2H6/c1-14(2)13-18(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17;2*1-2/h4-12,14H,13H2,1-3H3;2*1-2H3
InChIKeyDDKKGRCZXTULEZ-UHFFFAOYSA-N
XLogP6.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline?
The IUPAC name of ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline (CID 144663906) is ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline.
What is the SMILES notation for ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline?
The canonical SMILES for ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline is CC.CC.Cc1ccc(N(CC(C)C)c2ccccc2)cc1.
What is the InChIKey of ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline?
The InChIKey is DDKKGRCZXTULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.2C2H6/c1-14(2)13-18(16-7-5-4-6-8-16)17-11-9-15(3)10-12-17;2*1-2/h4-12,14H,13H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline?
ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline has a molecular weight of 299.50 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-(2-methylpropyl)-N-phenylaniline is sourced from PubChem (CID 144663906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).