N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

C17H19Cl2NO — CID 43099502

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-12(14-4-3-5-16(10-14)21-2)20-9-8-13-6-7-15(18)11-17(13)19/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyLWYXKUZAOUDHFR-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.90
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine

N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 43099502) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID43099502
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(C)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H19Cl2NO/c1-12(14-4-3-5-16(10-14)21-2)20-9-8-13-6-7-15(18)11-17(13)19/h3-7,10-12,20H,8-9H2,1-2H3
InChIKeyLWYXKUZAOUDHFR-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376151
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103954655
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine (CID 43099502) is N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(C)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is LWYXKUZAOUDHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(14-4-3-5-16(10-14)21-2)20-9-8-13-6-7-15(18)11-17(13)19/h3-7,10-12,20H,8-9H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine?
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 324.25 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 43099502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).