[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine

C15H18N2O — CID 63887885

IUPAC[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCc1cc(C)cc(OCc2ccnc(CN)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-12(2)7-15(6-11)18-10-13-3-4-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyRXNXBWULVGNTRS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.74
Rot. Bonds4

About [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine

[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 63887885) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID63887885
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCc1cc(C)cc(OCc2ccnc(CN)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-12(2)7-15(6-11)18-10-13-3-4-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyRXNXBWULVGNTRS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
4-[(3,5-dimethylphenoxy)methyl]-2-methoxypyridine
CID 141379840
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63882074
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
[4-[[2-[4-[[4-(aminomethyl)phenoxy]methyl]-2-pyridinyl]-4-pyridinyl]methoxy]phenyl]methanamine
CID 102432953
[4-[(2-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 63887682
[4-[(2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]methanamine
CID 63887490
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine (CID 63887885) is [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine is Cc1cc(C)cc(OCc2ccnc(CN)c2)c1.
What is the InChIKey of [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is RXNXBWULVGNTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-12(2)7-15(6-11)18-10-13-3-4-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3.
What are the key properties of [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine?
[4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).