N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine

C11H16ClNO — CID 47014890

IUPACN-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(7-8-14-2)9-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyPYMCZPWXEKZDEI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.42
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine

N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 47014890) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine
PubChem CID47014890
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(7-8-14-2)9-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyPYMCZPWXEKZDEI-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine (CID 47014890) is N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is PYMCZPWXEKZDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-13(7-8-14-2)9-10-3-5-11(12)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine?
N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 47014890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).