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

C15H16ClNO — CID 43094702

IUPAC1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2ccccc2C(C)N)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-10-9-12(7-8-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyZPQSCNUDQSDXPE-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.46
Rot. Bonds3

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

1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine (PubChem CID 43094702) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
PubChem CID43094702
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2ccccc2C(C)N)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-10-9-12(7-8-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3
InChIKeyZPQSCNUDQSDXPE-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
CID 103960425
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63647836

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine (CID 43094702) is 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine is Cc1cc(Oc2ccccc2C(C)N)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine?
The InChIKey is ZPQSCNUDQSDXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-9-12(7-8-14(10)16)18-15-6-4-3-5-13(15)11(2)17/h3-9,11H,17H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine?
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine has a molecular weight of 261.75 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 43094702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).