(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

C14H15ClN2O — CID 78938383

IUPAC(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2Cl)cn1
InChIInChI=1S/C14H15ClN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyONONNXIUISOIAD-JTQLQIEISA-N
MW262.74 g/mol
LogP3.86
Rot. Bonds3

About (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 78938383) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
PubChem CID78938383
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2Cl)cn1
InChIInChI=1S/C14H15ClN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyONONNXIUISOIAD-JTQLQIEISA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
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-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
CID 81160757
1-[4-(4-bromo-3-methylphenoxy)-3-chlorophenyl]ethanamine
CID 83140379
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (CID 78938383) is (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is Cc1ccc(Oc2ccc([C@H](C)N)cc2Cl)cn1.
What is the InChIKey of (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is ONONNXIUISOIAD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 78938383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).