N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C18H30N2 — CID 114592756

IUPACN-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCNC(CN1CC(C)CC(C)C1C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-13-10-15(3)16(4)20(11-13)12-18(19-5)17-9-7-6-8-14(17)2/h6-9,13,15-16,18-19H,10-12H2,1-5H3
InChIKeyICMJIPJMGSPZEQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592756) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592756
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCNC(CN1CC(C)CC(C)C1C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-13-10-15(3)16(4)20(11-13)12-18(19-5)17-9-7-6-8-14(17)2/h6-9,13,15-16,18-19H,10-12H2,1-5H3
InChIKeyICMJIPJMGSPZEQ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
CID 114597196
N-methyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 55249395
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
3-(2,4-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63493793
1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
CID 62880332
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 16795154
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
3-(2,3-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63495682

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592756) is N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is CNC(CN1CC(C)CC(C)C1C)c1ccccc1C.
What is the InChIKey of N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is ICMJIPJMGSPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-13-10-15(3)16(4)20(11-13)12-18(19-5)17-9-7-6-8-14(17)2/h6-9,13,15-16,18-19H,10-12H2,1-5H3.
What are the key properties of N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).