4-(4-chlorophenyl)-N-methylaniline;hydrochloride

C13H13Cl2N — CID 137319755

IUPAC4-(4-chlorophenyl)-N-methylaniline;hydrochloride
SMILESCNc1ccc(-c2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C13H12ClN.ClH/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10;/h2-9,15H,1H3;1H
InChIKeyIPSYMRHCHGOTLY-UHFFFAOYSA-N
MW254.16 g/mol
LogP4.47
Rot. Bonds2

About 4-(4-chlorophenyl)-N-methylaniline;hydrochloride

4-(4-chlorophenyl)-N-methylaniline;hydrochloride (PubChem CID 137319755) has the molecular formula C13H13Cl2N and a molecular weight of 254.16 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methylaniline;hydrochloride
PubChem CID137319755
Molecular FormulaC13H13Cl2N
Molecular Weight254.16 g/mol
Exact Mass253.04
IUPAC Name4-(4-chlorophenyl)-N-methylaniline;hydrochloride
SMILESCNc1ccc(-c2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C13H12ClN.ClH/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10;/h2-9,15H,1H3;1H
InChIKeyIPSYMRHCHGOTLY-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methylaniline;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-N-methylaniline;hydrochloride (CID 137319755) is 4-(4-chlorophenyl)-N-methylaniline;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methylaniline;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-N-methylaniline;hydrochloride is CNc1ccc(-c2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-methylaniline;hydrochloride?
The InChIKey is IPSYMRHCHGOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN.ClH/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10;/h2-9,15H,1H3;1H.
What are the key properties of 4-(4-chlorophenyl)-N-methylaniline;hydrochloride?
4-(4-chlorophenyl)-N-methylaniline;hydrochloride has a molecular weight of 254.16 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methylaniline;hydrochloride is sourced from PubChem (CID 137319755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).