N,N-dimethyl-1-phenylmethanamine;hydrochloride

C9H14ClN — CID 519599

IUPACN,N-dimethyl-1-phenylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1.Cl
InChIInChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H
InChIKeyCADWTSSKOVRVJC-UHFFFAOYSA-N
MW171.67 g/mol
LogP2.17
Rot. Bonds2

About N,N-dimethyl-1-phenylmethanamine;hydrochloride

N,N-dimethyl-1-phenylmethanamine;hydrochloride (PubChem CID 519599) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;hydrochloride
PubChem CID519599
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC NameN,N-dimethyl-1-phenylmethanamine;hydrochloride
SMILESCN(C)Cc1ccccc1.Cl
InChIInChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H
InChIKeyCADWTSSKOVRVJC-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-phenylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;hydrochloride (CID 519599) is N,N-dimethyl-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;hydrochloride is CN(C)Cc1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;hydrochloride?
The InChIKey is CADWTSSKOVRVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;hydrochloride?
N,N-dimethyl-1-phenylmethanamine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 519599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).