4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride

C9H16Cl2N2 — CID 2734633

IUPAC4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H
InChIKeyNRZQHDOWSPJUQW-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.05
Rot. Bonds2

About 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride

4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride (PubChem CID 2734633) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride
PubChem CID2734633
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H
InChIKeyNRZQHDOWSPJUQW-UHFFFAOYSA-N
XLogP2.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride (CID 2734633) is 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride is CN(C)c1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride?
The InChIKey is NRZQHDOWSPJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H.
What are the key properties of 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride?
4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 2734633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).