N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride

C9H14ClN — CID 155774731

IUPACN-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
SMILESCl.[2H]CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/i1D;
InChIKeyCADWTSSKOVRVJC-RWQOXAPSSA-N
MW172.68 g/mol
LogP2.17
Rot. Bonds3

About N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride

N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride (PubChem CID 155774731) has the molecular formula C9H14ClN and a molecular weight of 172.68 g/mol. Its IUPAC name is N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
PubChem CID155774731
Molecular FormulaC9H14ClN
Molecular Weight172.68 g/mol
Exact Mass172.09
IUPAC NameN-benzyl-1-deuterio-N-methylmethanamine;hydrochloride
SMILESCl.[2H]CN(C)Cc1ccccc1
InChIInChI=1S/C9H13N.ClH/c1-10(2)8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3;1H/i1D;
InChIKeyCADWTSSKOVRVJC-RWQOXAPSSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride?
The IUPAC name of N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride (CID 155774731) is N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride?
The canonical SMILES for N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride is Cl.[2H]CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride?
The InChIKey is CADWTSSKOVRVJC-RWQOXAPSSA-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/i1D;.
What are the key properties of N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride?
N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride has a molecular weight of 172.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-deuterio-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 155774731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).