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

C15H16ClNO — CID 114070200

IUPAC2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2c(Cl)cccc2CCN)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-2-6-13(10-11)18-15-12(8-9-17)5-3-7-14(15)16/h2-7,10H,8-9,17H2,1H3
InChIKeySVSKQPPLQSVXHM-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.94
Rot. Bonds4

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

2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine (PubChem CID 114070200) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine
PubChem CID114070200
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine
SMILESCc1cccc(Oc2c(Cl)cccc2CCN)c1
InChIInChI=1S/C15H16ClNO/c1-11-4-2-6-13(10-11)18-15-12(8-9-17)5-3-7-14(15)16/h2-7,10H,8-9,17H2,1H3
InChIKeySVSKQPPLQSVXHM-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
1-chloro-2-fluoro-4-(3-methylphenoxy)benzene
CID 91481927
2-chloro-4-(3-methylphenoxy)aniline
CID 106701509
3-chloro-2-(3,5-dimethylphenoxy)aniline
CID 26189205
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
2-[3-chloro-2-(4-methylpentoxy)phenyl]ethanamine
CID 112615068
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
1,2,3-tris(3-methylphenoxy)benzene
CID 139940681

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine (CID 114070200) is 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine is Cc1cccc(Oc2c(Cl)cccc2CCN)c1.
What is the InChIKey of 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine?
The InChIKey is SVSKQPPLQSVXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-4-2-6-13(10-11)18-15-12(8-9-17)5-3-7-14(15)16/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine?
2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 114070200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).