4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine

C16H20N2O — CID 112516545

IUPAC4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
SMILESCc1cccc(OCC(CCN)c2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-16(10-13)19-12-15(7-8-17)14-5-3-9-18-11-14/h2-6,9-11,15H,7-8,12,17H2,1H3
InChIKeyXLUNBIOWIZCBPZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.90
Rot. Bonds6

About 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine

4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine (PubChem CID 112516545) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
PubChem CID112516545
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine
SMILESCc1cccc(OCC(CCN)c2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-13-4-2-6-16(10-13)19-12-15(7-8-17)14-5-3-9-18-11-14/h2-6,9-11,15H,7-8,12,17H2,1H3
InChIKeyXLUNBIOWIZCBPZ-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenoxy)-3-thiophen-2-ylbutan-1-amine
CID 112516897
2-(3-methylphenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117243147
3-(3-amino-2-pyridin-3-ylpropoxy)phenol
CID 117241277
3-N,3-N-dimethyl-4-(3-methylphenoxy)butane-1,3-diamine
CID 112500984
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
3-(3-methylphenyl)pentan-1-amine
CID 82074944
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
1-(3-fluoro-4-pyridinyl)-3-(3-methylphenoxy)propan-1-amine
CID 105181868

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine?
The IUPAC name of 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine (CID 112516545) is 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine?
The canonical SMILES for 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine is Cc1cccc(OCC(CCN)c2cccnc2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine?
The InChIKey is XLUNBIOWIZCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-2-6-16(10-13)19-12-15(7-8-17)14-5-3-9-18-11-14/h2-6,9-11,15H,7-8,12,17H2,1H3.
What are the key properties of 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine?
4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-3-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 112516545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).