(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine

C15H18N2O — CID 28712225

IUPAC(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ccccc2)cn1
InChIInChI=1S/C15H18N2O/c1-12(14-6-4-3-5-7-14)16-10-13-8-9-15(18-2)17-11-13/h3-9,11-12,16H,10H2,1-2H3/t12-/m0/s1
InChIKeyDXKOCGRDLQKLEC-LBPRGKRZSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds5

About (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine

(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine (PubChem CID 28712225) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
PubChem CID28712225
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ccccc2)cn1
InChIInChI=1S/C15H18N2O/c1-12(14-6-4-3-5-7-14)16-10-13-8-9-15(18-2)17-11-13/h3-9,11-12,16H,10H2,1-2H3/t12-/m0/s1
InChIKeyDXKOCGRDLQKLEC-LBPRGKRZSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
sodium;(1R)-N-[[6-[(6-fluoro-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine;methanolate;(1R)-N-[[6-[(6-methoxy-3-pyridinyl)methoxy]-3-pyridinyl]methyl]-1-phenylethanamine
CID 158134934
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
3-[(6-methoxy-3-pyridinyl)methylamino]-3-phenylpropanenitrile
CID 62989925
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
N-[(6-methoxy-3-pyridinyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43206302

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine (CID 28712225) is (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine is COc1ccc(CN[C@@H](C)c2ccccc2)cn1.
What is the InChIKey of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine?
The InChIKey is DXKOCGRDLQKLEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(14-6-4-3-5-7-14)16-10-13-8-9-15(18-2)17-11-13/h3-9,11-12,16H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine?
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine has a molecular weight of 242.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 28712225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).