(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine

C14H15ClN2O — CID 113389810

IUPAC(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3/t10-/m0/s1
InChIKeyXLHLJKPBWADSBR-JTQLQIEISA-N
MW262.74 g/mol
LogP3.33
Rot. Bonds4

About (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine

(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine (PubChem CID 113389810) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
PubChem CID113389810
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3/t10-/m0/s1
InChIKeyXLHLJKPBWADSBR-JTQLQIEISA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389434
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 112693380
1-[3-chloro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 62911731
(1R)-1-[3-chloro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 113389763
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
(1R)-1-[3-chloro-4-(3-phenylpropoxy)phenyl]ethanamine
CID 63369916
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937758
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine (CID 113389810) is (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1ccc(OCc2cccnc2)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is XLHLJKPBWADSBR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(16)12-4-5-14(13(15)7-12)18-9-11-3-2-6-17-8-11/h2-8,10H,9,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine?
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 262.74 g/mol, XLogP of 3.33, 4 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-(pyridin-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 113389810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).