N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine

C17H22N2O — CID 63839602

IUPACN-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O/c1-4-10-19-17(16-12-13(2)9-11-18-16)14-5-7-15(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3
InChIKeyRXDWRLUIFBDOED-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds6

About N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine

N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 63839602) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID63839602
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O/c1-4-10-19-17(16-12-13(2)9-11-18-16)14-5-7-15(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3
InChIKeyRXDWRLUIFBDOED-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

[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]hydrazine
CID 105219978
N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63841105
N-[(4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106754926
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840251
N-[(4-ethylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840683
N-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 107513360
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine (CID 63839602) is N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)c1cc(C)ccn1.
What is the InChIKey of N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is RXDWRLUIFBDOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-10-19-17(16-12-13(2)9-11-18-16)14-5-7-15(20-3)8-6-14/h5-9,11-12,17,19H,4,10H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]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-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63839602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).