1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine

C17H22N2O — CID 60907126

IUPAC1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCc2ccncc2)c1
InChIInChI=1S/C17H22N2O/c1-2-16(18)12-15-4-3-5-17(13-15)20-11-8-14-6-9-19-10-7-14/h3-7,9-10,13,16H,2,8,11-12,18H2,1H3
InChIKeySMQVEQJRWHPLBT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.98
Rot. Bonds7

About 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine

1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine (PubChem CID 60907126) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
PubChem CID60907126
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCCc2ccncc2)c1
InChIInChI=1S/C17H22N2O/c1-2-16(18)12-15-4-3-5-17(13-15)20-11-8-14-6-9-19-10-7-14/h3-7,9-10,13,16H,2,8,11-12,18H2,1H3
InChIKeySMQVEQJRWHPLBT-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1-[3-bromo-4-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 63051166
1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
1-[3-(3-methoxy-3-methylbutoxy)phenyl]butan-2-amine
CID 103036253
1-(3-hept-6-enoxyphenyl)butan-2-amine
CID 107009907
methyl 3-[3-(2-aminobutyl)phenoxy]propanoate
CID 63947689
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine (CID 60907126) is 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCCc2ccncc2)c1.
What is the InChIKey of 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine?
The InChIKey is SMQVEQJRWHPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-16(18)12-15-4-3-5-17(13-15)20-11-8-14-6-9-19-10-7-14/h3-7,9-10,13,16H,2,8,11-12,18H2,1H3.
What are the key properties of 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine?
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).