1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine

C15H16ClNO — CID 114855627

IUPAC1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1cccc(C)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-3-5-14(8-11)18-15-9-13(16)7-6-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeyHXJAEXHILPXJRH-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.16
Rot. Bonds4

About 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114855627) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID114855627
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1cccc(C)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-3-5-14(8-11)18-15-9-13(16)7-6-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeyHXJAEXHILPXJRH-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856483
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-chloro-2-(3-methylphenoxy)phenyl]propan-2-amine
CID 114862908
1-[4-chloro-2-(2,4-dimethylphenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796314
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine (CID 114855627) is 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Oc1cccc(C)c1.
What is the InChIKey of 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is HXJAEXHILPXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-4-3-5-14(8-11)18-15-9-13(16)7-6-12(15)10-17-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 261.75 g/mol, XLogP of 4.16, 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-(3-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).