N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine

C19H26N2 — CID 116545019

IUPACN-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1ccncc1C
InChIInChI=1S/C19H26N2/c1-4-7-16-8-6-9-17(13-16)19(21-11-5-2)18-10-12-20-14-15(18)3/h6,8-10,12-14,19,21H,4-5,7,11H2,1-3H3
InChIKeyVBTOYQKWPJVOCZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.43
Rot. Bonds7

About N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine

N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 116545019) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID116545019
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1ccncc1C
InChIInChI=1S/C19H26N2/c1-4-7-16-8-6-9-17(13-16)19(21-11-5-2)18-10-12-20-14-15(18)3/h6,8-10,12-14,19,21H,4-5,7,11H2,1-3H3
InChIKeyVBTOYQKWPJVOCZ-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129
[(4-methyl-3-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105279913
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(3-methyl-2-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544152
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine (CID 116545019) is N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)c1ccncc1C.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is VBTOYQKWPJVOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-7-16-8-6-9-17(13-16)19(21-11-5-2)18-10-12-20-14-15(18)3/h6,8-10,12-14,19,21H,4-5,7,11H2,1-3H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116545019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).