(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine

C14H17N3O — CID 81409770

IUPAC(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1ncccc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H17N3O/c1-11(12-5-8-15-9-6-12)17-10-13-4-3-7-16-14(13)18-2/h3-9,11,17H,10H2,1-2H3/t11-/m0/s1
InChIKeyDENBUJMJDGTGQK-NSHDSACASA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds5

About (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81409770) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81409770
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCOc1ncccc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H17N3O/c1-11(12-5-8-15-9-6-12)17-10-13-4-3-7-16-14(13)18-2/h3-9,11,17H,10H2,1-2H3/t11-/m0/s1
InChIKeyDENBUJMJDGTGQK-NSHDSACASA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(1R)-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 81408582
2-methoxy-4-[1-[(2-methoxy-3-pyridinyl)methylamino]ethyl]phenol
CID 60857683
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
(1R)-1-pyridin-4-yl-N-(quinolin-8-ylmethyl)ethanamine
CID 28644871
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 60858501
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine (CID 81409770) is (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine is COc1ncccc1CN[C@@H](C)c1ccncc1.
What is the InChIKey of (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is DENBUJMJDGTGQK-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(12-5-8-15-9-6-12)17-10-13-4-3-7-16-14(13)18-2/h3-9,11,17H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81409770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).