1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C19H26N2 — CID 116545067

IUPAC1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1ncc(C)cc1C
InChIInChI=1S/C19H26N2/c1-13(2)9-16-7-6-8-17(11-16)19(20-5)18-15(4)10-14(3)12-21-18/h6-8,10-13,19-20H,9H2,1-5H3
InChIKeyPAAHPIQOWSGCAU-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.21
Rot. Bonds5

About 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116545067) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116545067
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1ncc(C)cc1C
InChIInChI=1S/C19H26N2/c1-13(2)9-16-7-6-8-17(11-16)19(20-5)18-15(4)10-14(3)12-21-18/h6-8,10-13,19-20H,9H2,1-5H3
InChIKeyPAAHPIQOWSGCAU-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 116544315
1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
[3-(2-methylpropyl)phenyl]-(5-methylpyrimidin-2-yl)methanamine
CID 116545007
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050624
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
(3,5-dimethyl-2-pyridinyl)-(3-propylphenyl)methanol
CID 116543803
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 116545067) is 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CNC(c1cccc(CC(C)C)c1)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is PAAHPIQOWSGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13(2)9-16-7-6-8-17(11-16)19(20-5)18-15(4)10-14(3)12-21-18/h6-8,10-13,19-20H,9H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 282.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116545067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).