1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine

C18H24N2O — CID 115958169

IUPAC1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCCc1cccnc1
InChIInChI=1S/C18H24N2O/c1-3-17(19)12-16-8-4-6-14(2)18(16)21-11-9-15-7-5-10-20-13-15/h4-8,10,13,17H,3,9,11-12,19H2,1-2H3
InChIKeyDYWRHFQPKQTMFN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.29
Rot. Bonds7

About 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine

1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine (PubChem CID 115958169) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
PubChem CID115958169
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCCc1cccnc1
InChIInChI=1S/C18H24N2O/c1-3-17(19)12-16-8-4-6-14(2)18(16)21-11-9-15-7-5-10-20-13-15/h4-8,10,13,17H,3,9,11-12,19H2,1-2H3
InChIKeyDYWRHFQPKQTMFN-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 112614730
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
2-[5-bromo-3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 115962668
1-pyridin-3-ylhexan-3-amine
CID 64506028
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine (CID 115958169) is 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCCc1cccnc1.
What is the InChIKey of 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine?
The InChIKey is DYWRHFQPKQTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-17(19)12-16-8-4-6-14(2)18(16)21-11-9-15-7-5-10-20-13-15/h4-8,10,13,17H,3,9,11-12,19H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine?
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 115958169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).