N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine

C19H24ClNO — CID 134256557

IUPACN-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCOc1ccc(C(c2ccccc2Cl)N(CC)CC)cc1
InChIInChI=1S/C19H24ClNO/c1-4-21(5-2)19(17-9-7-8-10-18(17)20)15-11-13-16(14-12-15)22-6-3/h7-14,19H,4-6H2,1-3H3
InChIKeySPXHPEBKGPPXAZ-UHFFFAOYSA-N
MW317.86 g/mol
LogP5.17
Rot. Bonds7

About N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine

N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine (PubChem CID 134256557) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine
PubChem CID134256557
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCOc1ccc(C(c2ccccc2Cl)N(CC)CC)cc1
InChIInChI=1S/C19H24ClNO/c1-4-21(5-2)19(17-9-7-8-10-18(17)20)15-11-13-16(14-12-15)22-6-3/h7-14,19H,4-6H2,1-3H3
InChIKeySPXHPEBKGPPXAZ-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine (CID 134256557) is N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine is CCOc1ccc(C(c2ccccc2Cl)N(CC)CC)cc1.
What is the InChIKey of N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine?
The InChIKey is SPXHPEBKGPPXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-4-21(5-2)19(17-9-7-8-10-18(17)20)15-11-13-16(14-12-15)22-6-3/h7-14,19H,4-6H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine?
N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine has a molecular weight of 317.86 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(4-ethoxyphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 134256557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).