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

C16H20N2O — CID 81374235

IUPAC(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2C)n1
InChIInChI=1S/C16H20N2O/c1-12-7-4-5-9-15(12)13(2)17-11-14-8-6-10-16(18-14)19-3/h4-10,13,17H,11H2,1-3H3/t13-/m0/s1
InChIKeyCJIXNHYSTJMENI-ZDUSSCGKSA-N
MW256.35 g/mol
LogP3.25
Rot. Bonds5

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

(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81374235) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81374235
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2C)n1
InChIInChI=1S/C16H20N2O/c1-12-7-4-5-9-15(12)13(2)17-11-14-8-6-10-16(18-14)19-3/h4-10,13,17H,11H2,1-3H3/t13-/m0/s1
InChIKeyCJIXNHYSTJMENI-ZDUSSCGKSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 81397060
(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-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 81375119
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
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
1-[2-[(6-methoxy-2-pyridinyl)methylamino]phenyl]ethanol
CID 103347703
(1S)-1-(2-methylphenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81363891
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine (CID 81374235) is (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine is COc1cccc(CN[C@@H](C)c2ccccc2C)n1.
What is the InChIKey of (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is CJIXNHYSTJMENI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-7-4-5-9-15(12)13(2)17-11-14-8-6-10-16(18-14)19-3/h4-10,13,17H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.25, 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-2-pyridinyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81374235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).