N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

C18H24N2 — CID 114878570

IUPACN-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cnccc1C
InChIInChI=1S/C18H24N2/c1-5-7-20-18(17-12-19-8-6-15(17)4)16-10-13(2)9-14(3)11-16/h6,8-12,18,20H,5,7H2,1-4H3
InChIKeyGZZCPXJPKFTSEU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.10
Rot. Bonds5

About N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 114878570) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID114878570
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(C)c1)c1cnccc1C
InChIInChI=1S/C18H24N2/c1-5-7-20-18(17-12-19-8-6-15(17)4)16-10-13(2)9-14(3)11-16/h6,8-12,18,20H,5,7H2,1-4H3
InChIKeyGZZCPXJPKFTSEU-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(5-methylfuran-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006407
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(5-bromothiophen-3-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164352
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-4-amine
CID 114878589
N-[(4-bromo-3-chlorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006637
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
N-[(2,4-difluoro-5-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006297

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine (CID 114878570) is N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(C)c1)c1cnccc1C.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is GZZCPXJPKFTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-7-20-18(17-12-19-8-6-15(17)4)16-10-13(2)9-14(3)11-16/h6,8-12,18,20H,5,7H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 114878570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).