N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine

C17H22N2O — CID 43495597

IUPACN-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(OC)cc1C
InChIInChI=1S/C17H22N2O/c1-4-9-19-17(14-7-10-18-11-8-14)16-6-5-15(20-3)12-13(16)2/h5-8,10-12,17,19H,4,9H2,1-3H3
InChIKeyLKOPSRHCNFSZQV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine

N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine (PubChem CID 43495597) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
PubChem CID43495597
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccncc1)c1ccc(OC)cc1C
InChIInChI=1S/C17H22N2O/c1-4-9-19-17(14-7-10-18-11-8-14)16-6-5-15(20-3)12-13(16)2/h5-8,10-12,17,19H,4,9H2,1-3H3
InChIKeyLKOPSRHCNFSZQV-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(2-methoxy-3,4-dimethylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 103433341
N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 65313561
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[pyridin-4-yl-(2,3,5,6-tetramethylphenyl)methyl]propan-1-amine
CID 43496227

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine (CID 43495597) is N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine is CCCNC(c1ccncc1)c1ccc(OC)cc1C.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
The InChIKey is LKOPSRHCNFSZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-9-19-17(14-7-10-18-11-8-14)16-6-5-15(20-3)12-13(16)2/h5-8,10-12,17,19H,4,9H2,1-3H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine?
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).