4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine

C15H18N2O — CID 62464940

IUPAC4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cccc(OCc2ccnc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-11(2)13-4-3-5-14(9-13)18-10-12-6-7-17-15(16)8-12/h3-9,11H,10H2,1-2H3,(H2,16,17)
InChIKeyIWKQEQOTJYRJCD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.37
Rot. Bonds4

About 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine

4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine (PubChem CID 62464940) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
PubChem CID62464940
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
SMILESCC(C)c1cccc(OCc2ccnc(N)c2)c1
InChIInChI=1S/C15H18N2O/c1-11(2)13-4-3-5-14(9-13)18-10-12-6-7-17-15(16)8-12/h3-9,11H,10H2,1-2H3,(H2,16,17)
InChIKeyIWKQEQOTJYRJCD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-propan-2-ylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465371
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine
CID 99838870
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
6-methyl-2-[(3-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80503642
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
3-[(3-propan-2-ylphenoxy)methyl]-1,2-oxazol-5-amine
CID 82082438
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine (CID 62464940) is 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine is CC(C)c1cccc(OCc2ccnc(N)c2)c1.
What is the InChIKey of 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
The InChIKey is IWKQEQOTJYRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)13-4-3-5-14(9-13)18-10-12-6-7-17-15(16)8-12/h3-9,11H,10H2,1-2H3,(H2,16,17).
What are the key properties of 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine?
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62464940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).