1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride

C14H14Cl3NO — CID 126796195

IUPAC1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H13Cl2NO.ClH/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13;/h2-8,17H,9H2,1H3;1H
InChIKeyZNPWNZJPZLHTIA-UHFFFAOYSA-N
MW318.63 g/mol
LogP4.93
Rot. Bonds4

About 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride

1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 126796195) has the molecular formula C14H14Cl3NO and a molecular weight of 318.63 g/mol. Its IUPAC name is 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID126796195
Molecular FormulaC14H14Cl3NO
Molecular Weight318.63 g/mol
Exact Mass317.01
IUPAC Name1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H13Cl2NO.ClH/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13;/h2-8,17H,9H2,1H3;1H
InChIKeyZNPWNZJPZLHTIA-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
1-[5-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114857852
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride (CID 126796195) is 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride is CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is ZNPWNZJPZLHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO.ClH/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13;/h2-8,17H,9H2,1H3;1H.
What are the key properties of 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride?
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 318.63 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 126796195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).