N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride

C12H19Cl2NO — CID 16682230

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10;/h6-8H,4-5,9H2,1-3H3;1H
InChIKeyYBXNAAVXVKRBMB-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.61
Rot. Bonds5

About N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride

N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride (PubChem CID 16682230) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride
PubChem CID16682230
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride
SMILESCCN(CC)Cc1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10;/h6-8H,4-5,9H2,1-3H3;1H
InChIKeyYBXNAAVXVKRBMB-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride (CID 16682230) is N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride is CCN(CC)Cc1ccc(OC)c(Cl)c1.Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride?
The InChIKey is YBXNAAVXVKRBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-4-14(5-2)9-10-6-7-12(15-3)11(13)8-10;/h6-8H,4-5,9H2,1-3H3;1H.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride?
N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 16682230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).