1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride

C16H19Cl2NO — CID 126796314

IUPAC1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Cl)cc1Oc1ccc(C)cc1C.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-11-4-7-15(12(2)8-11)19-16-9-14(17)6-5-13(16)10-18-3;/h4-9,18H,10H2,1-3H3;1H
InChIKeyNMRCKOHFZNRWLK-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.89
Rot. Bonds4

About 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride

1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride (PubChem CID 126796314) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
PubChem CID126796314
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccc(Cl)cc1Oc1ccc(C)cc1C.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-11-4-7-15(12(2)8-11)19-16-9-14(17)6-5-13(16)10-18-3;/h4-9,18H,10H2,1-3H3;1H
InChIKeyNMRCKOHFZNRWLK-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
1-[4-chloro-2-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 114856629
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 114857168
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride (CID 126796314) is 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride is CNCc1ccc(Cl)cc1Oc1ccc(C)cc1C.Cl.
What is the InChIKey of 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
The InChIKey is NMRCKOHFZNRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-11-4-7-15(12(2)8-11)19-16-9-14(17)6-5-13(16)10-18-3;/h4-9,18H,10H2,1-3H3;1H.
What are the key properties of 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride?
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 126796314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).