(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C16H20N2O2 — CID 81397060

IUPAC(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2OC)n1
InChIInChI=1S/C16H20N2O2/c1-12(14-8-4-5-9-15(14)19-2)17-11-13-7-6-10-16(18-13)20-3/h4-10,12,17H,11H2,1-3H3/t12-/m0/s1
InChIKeyBJIUNKQCTRSKGG-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.95
Rot. Bonds6

About (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 81397060) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID81397060
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2OC)n1
InChIInChI=1S/C16H20N2O2/c1-12(14-8-4-5-9-15(14)19-2)17-11-13-7-6-10-16(18-13)20-3/h4-10,12,17H,11H2,1-3H3/t12-/m0/s1
InChIKeyBJIUNKQCTRSKGG-LBPRGKRZSA-N
XLogP2.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374235
(1R)-1-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81347461
(1R)-1-(furan-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81399782
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
N-[(6-bromo-2-pyridinyl)methyl]-1-[2-(difluoromethoxy)phenyl]ethanamine
CID 115938017
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
(1R)-1-(3-bromophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81382454
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
1-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-3-methylbutan-2-amine
CID 79259192
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 81397060) is (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CN[C@@H](C)c2ccccc2OC)n1.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is BJIUNKQCTRSKGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(14-8-4-5-9-15(14)19-2)17-11-13-7-6-10-16(18-13)20-3/h4-10,12,17H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81397060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).