[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine

C15H18N2O — CID 117001852

IUPAC[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
SMILESCC(C)Oc1ccc(-c2ncccc2CN)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)18-14-7-5-12(6-8-14)15-13(10-16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3
InChIKeyNIJNYCSFSNSWEY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.99
Rot. Bonds4

About [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine

[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine (PubChem CID 117001852) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
PubChem CID117001852
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
SMILESCC(C)Oc1ccc(-c2ncccc2CN)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)18-14-7-5-12(6-8-14)15-13(10-16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3
InChIKeyNIJNYCSFSNSWEY-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine
CID 126448583
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
[4-[3-(aminomethyl)-2-pyridinyl]phenyl]methanol
CID 110282157
[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
CID 82508499
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
CID 154904675
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
(4-propan-2-yloxy-2-pyridin-2-ylphenyl)methanamine
CID 174880823
[2-(3,5-difluorophenyl)-3-pyridinyl]methanamine
CID 110282116
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82104465

Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine (CID 117001852) is [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine is CC(C)Oc1ccc(-c2ncccc2CN)cc1.
What is the InChIKey of [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine?
The InChIKey is NIJNYCSFSNSWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)18-14-7-5-12(6-8-14)15-13(10-16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3.
What are the key properties of [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine?
[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 117001852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).