[2-(4-chlorophenoxy)-5-methylphenyl]methanamine

C14H14ClNO — CID 107926488

IUPAC[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(Cl)cc2)c(CN)c1
InChIInChI=1S/C14H14ClNO/c1-10-2-7-14(11(8-10)9-16)17-13-5-3-12(15)4-6-13/h2-8H,9,16H2,1H3
InChIKeyIXBBCVBPANPTJU-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.90
Rot. Bonds3

About [2-(4-chlorophenoxy)-5-methylphenyl]methanamine

[2-(4-chlorophenoxy)-5-methylphenyl]methanamine (PubChem CID 107926488) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is [2-(4-chlorophenoxy)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
PubChem CID107926488
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2ccc(Cl)cc2)c(CN)c1
InChIInChI=1S/C14H14ClNO/c1-10-2-7-14(11(8-10)9-16)17-13-5-3-12(15)4-6-13/h2-8H,9,16H2,1H3
InChIKeyIXBBCVBPANPTJU-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[5-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62493858
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926522
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenoxy)-5-methylphenyl]methanamine?
The IUPAC name of [2-(4-chlorophenoxy)-5-methylphenyl]methanamine (CID 107926488) is [2-(4-chlorophenoxy)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenoxy)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(4-chlorophenoxy)-5-methylphenyl]methanamine is Cc1ccc(Oc2ccc(Cl)cc2)c(CN)c1.
What is the InChIKey of [2-(4-chlorophenoxy)-5-methylphenyl]methanamine?
The InChIKey is IXBBCVBPANPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-2-7-14(11(8-10)9-16)17-13-5-3-12(15)4-6-13/h2-8H,9,16H2,1H3.
What are the key properties of [2-(4-chlorophenoxy)-5-methylphenyl]methanamine?
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine has a molecular weight of 247.72 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenoxy)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).