4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine

C17H23N3O — CID 62464640

IUPAC4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)c2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H23N3O/c1-4-10-18-17-12-14(9-11-19-17)13-20(2)15-5-7-16(21-3)8-6-15/h5-9,11-12H,4,10,13H2,1-3H3,(H,18,19)
InChIKeyPVHISXYTUKJLRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.55
Rot. Bonds7

About 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine

4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine (PubChem CID 62464640) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine
PubChem CID62464640
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CN(C)c2ccc(OC)cc2)ccn1
InChIInChI=1S/C17H23N3O/c1-4-10-18-17-12-14(9-11-19-17)13-20(2)15-5-7-16(21-3)8-6-15/h5-9,11-12H,4,10,13H2,1-3H3,(H,18,19)
InChIKeyPVHISXYTUKJLRN-UHFFFAOYSA-N
XLogP3.55
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62464462
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
4-[(4-chlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 62465810
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469766

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine (CID 62464640) is 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine is CCCNc1cc(CN(C)c2ccc(OC)cc2)ccn1.
What is the InChIKey of 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine?
The InChIKey is PVHISXYTUKJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-18-17-12-14(9-11-19-17)13-20(2)15-5-7-16(21-3)8-6-15/h5-9,11-12H,4,10,13H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine?
4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-N-methylanilino)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62464640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).