2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine

C18H24N2 — CID 54360216

IUPAC2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)CC(C)c1cc(N)ccc1Nc1ccccc1
InChIInChI=1S/C18H24N2/c1-13(2)11-14(3)17-12-15(19)9-10-18(17)20-16-7-5-4-6-8-16/h4-10,12-14,20H,11,19H2,1-3H3
InChIKeyULZNMOPEGBXJED-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine

2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 54360216) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
PubChem CID54360216
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
SMILESCC(C)CC(C)c1cc(N)ccc1Nc1ccccc1
InChIInChI=1S/C18H24N2/c1-13(2)11-14(3)17-12-15(19)9-10-18(17)20-16-7-5-4-6-8-16/h4-10,12-14,20H,11,19H2,1-3H3
InChIKeyULZNMOPEGBXJED-UHFFFAOYSA-N
XLogP5.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine (CID 54360216) is 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine is CC(C)CC(C)c1cc(N)ccc1Nc1ccccc1.
What is the InChIKey of 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is ULZNMOPEGBXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)11-14(3)17-12-15(19)9-10-18(17)20-16-7-5-4-6-8-16/h4-10,12-14,20H,11,19H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine?
2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 54360216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).