4-methoxy-1-pyridin-3-yloxybutan-2-amine

C10H16N2O2 — CID 117236788

IUPAC4-methoxy-1-pyridin-3-yloxybutan-2-amine
SMILESCOCCC(N)COc1cccnc1
InChIInChI=1S/C10H16N2O2/c1-13-6-4-9(11)8-14-10-3-2-5-12-7-10/h2-3,5,7,9H,4,6,8,11H2,1H3
InChIKeyPAFVZSKYOIPJPM-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.82
Rot. Bonds6

About 4-methoxy-1-pyridin-3-yloxybutan-2-amine

4-methoxy-1-pyridin-3-yloxybutan-2-amine (PubChem CID 117236788) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methoxy-1-pyridin-3-yloxybutan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-pyridin-3-yloxybutan-2-amine
PubChem CID117236788
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-methoxy-1-pyridin-3-yloxybutan-2-amine
SMILESCOCCC(N)COc1cccnc1
InChIInChI=1S/C10H16N2O2/c1-13-6-4-9(11)8-14-10-3-2-5-12-7-10/h2-3,5,7,9H,4,6,8,11H2,1H3
InChIKeyPAFVZSKYOIPJPM-UHFFFAOYSA-N
XLogP0.82
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-yloxypentan-2-amine
CID 117241763
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
1-(4-fluorophenoxy)-4-methoxybutan-2-amine
CID 117236773
3,3-dimethyl-1-pyridin-3-yloxybutan-2-amine
CID 117242309
4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
2-(pyridin-3-yloxymethyl)pentan-1-amine
CID 117241997
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
CID 117236929
1-(2-bromophenyl)-2-pyridin-3-yloxyethanamine
CID 117243775
2-amino-5-methoxy-1-pyridin-3-ylpentan-1-one
CID 116593749
2-(2-methoxyphenyl)-3-pyridin-3-yloxypropan-1-amine
CID 117244112

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pyridin-3-yloxybutan-2-amine?
The IUPAC name of 4-methoxy-1-pyridin-3-yloxybutan-2-amine (CID 117236788) is 4-methoxy-1-pyridin-3-yloxybutan-2-amine.
What is the SMILES notation for 4-methoxy-1-pyridin-3-yloxybutan-2-amine?
The canonical SMILES for 4-methoxy-1-pyridin-3-yloxybutan-2-amine is COCCC(N)COc1cccnc1.
What is the InChIKey of 4-methoxy-1-pyridin-3-yloxybutan-2-amine?
The InChIKey is PAFVZSKYOIPJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-13-6-4-9(11)8-14-10-3-2-5-12-7-10/h2-3,5,7,9H,4,6,8,11H2,1H3.
What are the key properties of 4-methoxy-1-pyridin-3-yloxybutan-2-amine?
4-methoxy-1-pyridin-3-yloxybutan-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pyridin-3-yloxybutan-2-amine is sourced from PubChem (CID 117236788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).