[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine

C16H17Cl2NO2 — CID 20988973

IUPAC[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-2-20-15-8-12(9-19)7-14(18)16(15)21-10-11-3-5-13(17)6-4-11/h3-8H,2,9-10,19H2,1H3
InChIKeyHVTQLLIFNWOZBG-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.43
Rot. Bonds6

About [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine

[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine (PubChem CID 20988973) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
PubChem CID20988973
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine
SMILESCCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO2/c1-2-20-15-8-12(9-19)7-14(18)16(15)21-10-11-3-5-13(17)6-4-11/h3-8H,2,9-10,19H2,1H3
InChIKeyHVTQLLIFNWOZBG-UHFFFAOYSA-N
XLogP4.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine with MolForge

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Related Compounds

3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
[3-chloro-4-[2-(2,5-dichlorophenoxy)ethoxy]-5-ethoxyphenyl]methanamine
CID 22679990
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723990
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 17208508
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288906
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17289471
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 4716925
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]tetrazolidin-5-amine
CID 78363753
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclopentanamine;hydrochloride
CID 17289730
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-phenylethanamine
CID 4715762

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine (CID 20988973) is [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine is CCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine?
The InChIKey is HVTQLLIFNWOZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-2-20-15-8-12(9-19)7-14(18)16(15)21-10-11-3-5-13(17)6-4-11/h3-8H,2,9-10,19H2,1H3.
What are the key properties of [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine?
[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine has a molecular weight of 326.22 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methanamine is sourced from PubChem (CID 20988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).