4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine

C16H20N2 — CID 22245212

IUPAC4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3
InChIKeyBQCPAKBDPLFSFR-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.64
Rot. Bonds3

About 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine

4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine (PubChem CID 22245212) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
PubChem CID22245212
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3
InChIKeyBQCPAKBDPLFSFR-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine (CID 22245212) is 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine is CC(C)(C)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine?
The InChIKey is BQCPAKBDPLFSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)18-15-11-9-14(10-12-15)17-13-7-5-4-6-8-13/h4-12,17-18H,1-3H3.
What are the key properties of 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine?
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 22245212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).