4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine

C15H17ClN2 — CID 61380702

IUPAC4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C15H17ClN2/c1-11-10-14(6-7-15(11)17)18-9-8-12-2-4-13(16)5-3-12/h2-7,10,18H,8-9,17H2,1H3
InChIKeyCUZMEQDZPCVRQB-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.89
Rot. Bonds4

About 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine

4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 61380702) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
PubChem CID61380702
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCc1cc(NCCc2ccc(Cl)cc2)ccc1N
InChIInChI=1S/C15H17ClN2/c1-11-10-14(6-7-15(11)17)18-9-8-12-2-4-13(16)5-3-12/h2-7,10,18H,8-9,17H2,1H3
InChIKeyCUZMEQDZPCVRQB-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.89
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 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine (CID 61380702) is 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine is Cc1cc(NCCc2ccc(Cl)cc2)ccc1N.
What is the InChIKey of 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is CUZMEQDZPCVRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-11-10-14(6-7-15(11)17)18-9-8-12-2-4-13(16)5-3-12/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine?
4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine has a molecular weight of 260.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 61380702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).