N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine

C18H24N2 — CID 116544315

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1cccc(C)n1
InChIInChI=1S/C18H24N2/c1-13(2)11-15-8-6-9-16(12-15)18(19-4)17-10-5-7-14(3)20-17/h5-10,12-13,18-19H,11H2,1-4H3
InChIKeyNQAMQGACNITUFS-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.90
Rot. Bonds5

About N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 116544315) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID116544315
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1cccc(C)n1
InChIInChI=1S/C18H24N2/c1-13(2)11-15-8-6-9-16(12-15)18(19-4)17-10-5-7-14(3)20-17/h5-10,12-13,18-19H,11H2,1-4H3
InChIKeyNQAMQGACNITUFS-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116545067
1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
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
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050624
N-methyl-1-(6-methyl-2-pyridinyl)-1-quinolin-7-ylmethanamine
CID 81231820
1-(4-ethoxyphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 55222444
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 116544315) is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine is CNC(c1cccc(CC(C)C)c1)c1cccc(C)n1.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is NQAMQGACNITUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)11-15-8-6-9-16(12-15)18(19-4)17-10-5-7-14(3)20-17/h5-10,12-13,18-19H,11H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 268.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 116544315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).