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

C18H24N2 — CID 114698805

IUPAC3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
SMILESCc1cnccc1CNC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)11-18(16-7-5-4-6-8-16)20-13-17-9-10-19-12-15(17)3/h4-10,12,14,18,20H,11,13H2,1-3H3
InChIKeySWBLZPLATZPPHU-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.27
Rot. Bonds6

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

3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine (PubChem CID 114698805) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
PubChem CID114698805
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine
SMILESCc1cnccc1CNC(CC(C)C)c1ccccc1
InChIInChI=1S/C18H24N2/c1-14(2)11-18(16-7-5-4-6-8-16)20-13-17-9-10-19-12-15(17)3/h4-10,12,14,18,20H,11,13H2,1-3H3
InChIKeySWBLZPLATZPPHU-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-phenylbutan-1-amine
CID 61017076
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
1-(furan-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114698636
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
2-chloro-3-[[(3-methyl-1-pyridin-3-ylbutyl)amino]methyl]phenol
CID 131938141
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 114698972
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine (CID 114698805) is 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine is Cc1cnccc1CNC(CC(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine?
The InChIKey is SWBLZPLATZPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)11-18(16-7-5-4-6-8-16)20-13-17-9-10-19-12-15(17)3/h4-10,12,14,18,20H,11,13H2,1-3H3.
What are the key properties of 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine?
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 114698805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).