1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine

C17H22N2O — CID 105171022

IUPAC1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-13(2)20-17-8-4-3-7-15(17)16(18)10-9-14-6-5-11-19-12-14/h3-8,11-13,16H,9-10,18H2,1-2H3
InChIKeyMIXHKEPROOMTMQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine

1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105171022) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105171022
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCC(C)Oc1ccccc1C(N)CCc1cccnc1
InChIInChI=1S/C17H22N2O/c1-13(2)20-17-8-4-3-7-15(17)16(18)10-9-14-6-5-11-19-12-14/h3-8,11-13,16H,9-10,18H2,1-2H3
InChIKeyMIXHKEPROOMTMQ-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105176210
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
(1S)-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 171231533
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105119933
4,4-dimethyl-1-(2-propan-2-yloxyphenyl)pentan-1-amine
CID 114211571
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105115823
[1-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylpropyl]hydrazine
CID 105326176

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine (CID 105171022) is 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine is CC(C)Oc1ccccc1C(N)CCc1cccnc1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is MIXHKEPROOMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(2)20-17-8-4-3-7-15(17)16(18)10-9-14-6-5-11-19-12-14/h3-8,11-13,16H,9-10,18H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine?
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105171022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).