N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine

C13H20ClN — CID 91081379

IUPACN-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine
SMILESCCc1c(Cl)cccc1CN(CC)CC
InChIInChI=1S/C13H20ClN/c1-4-12-11(8-7-9-13(12)14)10-15(5-2)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyZEPGVHWXVZCZNN-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.74
Rot. Bonds5

About N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine

N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine (PubChem CID 91081379) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine
PubChem CID91081379
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine
SMILESCCc1c(Cl)cccc1CN(CC)CC
InChIInChI=1S/C13H20ClN/c1-4-12-11(8-7-9-13(12)14)10-15(5-2)6-3/h7-9H,4-6,10H2,1-3H3
InChIKeyZEPGVHWXVZCZNN-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine (CID 91081379) is N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine is CCc1c(Cl)cccc1CN(CC)CC.
What is the InChIKey of N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine?
The InChIKey is ZEPGVHWXVZCZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-12-11(8-7-9-13(12)14)10-15(5-2)6-3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine?
N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine has a molecular weight of 225.76 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-ethylphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 91081379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).