(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine

C15H16ClNO — CID 63369920

IUPAC(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)c(Oc2ccc([C@H](C)N)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)18-13-6-4-12(5-7-13)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyAUSFXCUMABNTRY-NSHDSACASA-N
MW261.75 g/mol
LogP4.46
Rot. Bonds3

About (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine

(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine (PubChem CID 63369920) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
PubChem CID63369920
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(Cl)c(Oc2ccc([C@H](C)N)cc2)c1
InChIInChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)18-13-6-4-12(5-7-13)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1
InChIKeyAUSFXCUMABNTRY-NSHDSACASA-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-[3-chloro-4-(2-chloro-5-methylphenoxy)phenyl]ethanamine
CID 62910687
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
(1R)-1-[4-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 79020482
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 55132671
(1R)-1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]ethanamine
CID 63369799
(1R)-1-[3-bromo-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78944434
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
[4-chloro-3-(4-propan-2-ylphenoxy)phenyl]phosphane
CID 176946416

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine (CID 63369920) is (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine is Cc1ccc(Cl)c(Oc2ccc([C@H](C)N)cc2)c1.
What is the InChIKey of (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
The InChIKey is AUSFXCUMABNTRY-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-3-8-14(16)15(9-10)18-13-6-4-12(5-7-13)11(2)17/h3-9,11H,17H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine?
(1S)-1-[4-(2-chloro-5-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 (1S)-1-[4-(2-chloro-5-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63369920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).