N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine

C18H24N2O — CID 106907945

IUPACN-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccc(CNC(C)C)n2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-16-6-5-7-17(20-16)12-21-18-9-8-14(3)10-15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyMVSBDMYYNRHZKJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine

N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine (PubChem CID 106907945) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
PubChem CID106907945
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2cccc(CNC(C)C)n2)c(C)c1
InChIInChI=1S/C18H24N2O/c1-13(2)19-11-16-6-5-7-17(20-16)12-21-18-9-8-14(3)10-15(18)4/h5-10,13,19H,11-12H2,1-4H3
InChIKeyMVSBDMYYNRHZKJ-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[[6-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907860
2-[(2,4-dimethylphenoxy)methyl]-6-fluoropyridine;ethane
CID 170747048
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79262670
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922
N-[[2-[2-(2,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193907
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 79262649

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine (CID 106907945) is N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine is Cc1ccc(OCc2cccc(CNC(C)C)n2)c(C)c1.
What is the InChIKey of N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is MVSBDMYYNRHZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)19-11-16-6-5-7-17(20-16)12-21-18-9-8-14(3)10-15(18)4/h5-10,13,19H,11-12H2,1-4H3.
What are the key properties of N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine?
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106907945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).