2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine

C16H17Cl2NO — CID 82550820

IUPAC2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-19-8-7-13-9-14(17)16(15(18)10-13)20-11-12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyXXYGAXYFOCEHPC-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.33
Rot. Bonds6

About 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine

2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine (PubChem CID 82550820) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
PubChem CID82550820
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-19-8-7-13-9-14(17)16(15(18)10-13)20-11-12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyXXYGAXYFOCEHPC-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloro-4-ethoxyphenyl)-N-methylethanamine
CID 82550874
N-methyl-3-[3,4,5-tris(phenylmethoxy)phenyl]propan-1-amine
CID 170120843
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
CID 17211012
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
3-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)propan-1-amine
CID 117474017
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-phenylethanamine
CID 4715762
3-chloro-N-methyl-2-phenylmethoxyaniline
CID 144838514

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine (CID 82550820) is 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine is CNCCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine?
The InChIKey is XXYGAXYFOCEHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-19-8-7-13-9-14(17)16(15(18)10-13)20-11-12-5-3-2-4-6-12/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine?
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82550820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).