N-methyl-4-phenylaniline;hydrochloride

C13H14ClN — CID 23207854

IUPACN-methyl-4-phenylaniline;hydrochloride
SMILESCNc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C13H13N.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10,14H,1H3;1H
InChIKeyJHVDXYKRPSSZCM-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.82
Rot. Bonds2

About N-methyl-4-phenylaniline;hydrochloride

N-methyl-4-phenylaniline;hydrochloride (PubChem CID 23207854) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is N-methyl-4-phenylaniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-phenylaniline;hydrochloride
PubChem CID23207854
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC NameN-methyl-4-phenylaniline;hydrochloride
SMILESCNc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C13H13N.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10,14H,1H3;1H
InChIKeyJHVDXYKRPSSZCM-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylaniline;hydrochloride?
The IUPAC name of N-methyl-4-phenylaniline;hydrochloride (CID 23207854) is N-methyl-4-phenylaniline;hydrochloride.
What is the SMILES notation for N-methyl-4-phenylaniline;hydrochloride?
The canonical SMILES for N-methyl-4-phenylaniline;hydrochloride is CNc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-4-phenylaniline;hydrochloride?
The InChIKey is JHVDXYKRPSSZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.ClH/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10,14H,1H3;1H.
What are the key properties of N-methyl-4-phenylaniline;hydrochloride?
N-methyl-4-phenylaniline;hydrochloride has a molecular weight of 219.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylaniline;hydrochloride is sourced from PubChem (CID 23207854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).