1-(3-methoxy-4-pyridinyl)propan-2-amine

C9H14N2O — CID 112712024

IUPAC1-(3-methoxy-4-pyridinyl)propan-2-amine
SMILESCOc1cnccc1CC(C)N
InChIInChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-6-9(8)12-2/h3-4,6-7H,5,10H2,1-2H3
InChIKeyVIWSGVSIQKYLAN-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds3

About 1-(3-methoxy-4-pyridinyl)propan-2-amine

1-(3-methoxy-4-pyridinyl)propan-2-amine (PubChem CID 112712024) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)propan-2-amine
PubChem CID112712024
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(3-methoxy-4-pyridinyl)propan-2-amine
SMILESCOc1cnccc1CC(C)N
InChIInChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-6-9(8)12-2/h3-4,6-7H,5,10H2,1-2H3
InChIKeyVIWSGVSIQKYLAN-UHFFFAOYSA-N
XLogP0.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
4-(2,2-dimethylpropyl)-3-methoxypyridine
CID 59574628
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
3-methoxy-4-pentylpyridine
CID 170214218
1-(7-fluoroisoquinolin-5-yl)propan-2-amine
CID 82577419
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
1-(8-methylisoquinolin-5-yl)propan-2-amine
CID 82577426
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
3-chloro-4-[2-(chloromethyl)-3-(2-methoxyphenyl)propyl]pyridine
CID 66048175
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
3-(8-methoxyisoquinolin-5-yl)-2-methylpropan-1-amine
CID 82576731

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)propan-2-amine?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)propan-2-amine (CID 112712024) is 1-(3-methoxy-4-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)propan-2-amine is COc1cnccc1CC(C)N.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)propan-2-amine?
The InChIKey is VIWSGVSIQKYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-6-9(8)12-2/h3-4,6-7H,5,10H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)propan-2-amine?
1-(3-methoxy-4-pyridinyl)propan-2-amine has a molecular weight of 166.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)propan-2-amine is sourced from PubChem (CID 112712024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).