N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine

C18H30N2 — CID 83052318

IUPACN-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1CC(NC)c1cccc(C)c1
InChIInChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)14-18(19-3)16-10-7-9-15(2)13-16/h7,9-10,13,17-19H,4-6,8,11-12,14H2,1-3H3
InChIKeyVCIXYGNPVYHOLQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine

N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine (PubChem CID 83052318) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
PubChem CID83052318
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
SMILESCCCC1CCCCN1CC(NC)c1cccc(C)c1
InChIInChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)14-18(19-3)16-10-7-9-15(2)13-16/h7,9-10,13,17-19H,4-6,8,11-12,14H2,1-3H3
InChIKeyVCIXYGNPVYHOLQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 115559669
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 63149736
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-(3-methylphenyl)ethanamine
CID 55215794
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
CID 57046178
1-methoxy-N-methyl-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 107505926

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine (CID 83052318) is N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine is CCCC1CCCCN1CC(NC)c1cccc(C)c1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
The InChIKey is VCIXYGNPVYHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)14-18(19-3)16-10-7-9-15(2)13-16/h7,9-10,13,17-19H,4-6,8,11-12,14H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine?
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 83052318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).