N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride

C9H17Cl4N — CID 172854351

IUPACN,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
SMILESCN(C)Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C9H13N.4ClH/c1-10(2)8-9-6-4-3-5-7-9;;;;/h3-7H,8H2,1-2H3;4*1H
InChIKeyYMMUNBDXJFUBSL-UHFFFAOYSA-N
MW281.05 g/mol
LogP3.44
Rot. Bonds2

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

N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride (PubChem CID 172854351) has the molecular formula C9H17Cl4N and a molecular weight of 281.05 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
PubChem CID172854351
Molecular FormulaC9H17Cl4N
Molecular Weight281.05 g/mol
Exact Mass279.01
IUPAC NameN,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
SMILESCN(C)Cc1ccccc1.Cl.Cl.Cl.Cl
InChIInChI=1S/C9H13N.4ClH/c1-10(2)8-9-6-4-3-5-7-9;;;;/h3-7H,8H2,1-2H3;4*1H
InChIKeyYMMUNBDXJFUBSL-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.05
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162180373
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
CID 155774731
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N-chloro-1-phenylmethanamine;N,N-dimethyl-1-phenylmethanamine;dihydrochloride
CID 175067673
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride (CID 172854351) is N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride is CN(C)Cc1ccccc1.Cl.Cl.Cl.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride?
The InChIKey is YMMUNBDXJFUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.4ClH/c1-10(2)8-9-6-4-3-5-7-9;;;;/h3-7H,8H2,1-2H3;4*1H.
What are the key properties of N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride?
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride has a molecular weight of 281.05 g/mol, XLogP of 3.44, 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;tetrahydrochloride is sourced from PubChem (CID 172854351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).