N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine

C17H28N2 — CID 115211204

IUPACN-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCc1cccc(CCN(C)CCC2CCCCN2)c1
InChIInChI=1S/C17H28N2/c1-15-6-5-7-16(14-15)9-12-19(2)13-10-17-8-3-4-11-18-17/h5-7,14,17-18H,3-4,8-13H2,1-2H3
InChIKeyXZSYRGJLKOJAOI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.00
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine

N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine (PubChem CID 115211204) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
PubChem CID115211204
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
SMILESCc1cccc(CCN(C)CCC2CCCCN2)c1
InChIInChI=1S/C17H28N2/c1-15-6-5-7-16(14-15)9-12-19(2)13-10-17-8-3-4-11-18-17/h5-7,14,17-18H,3-4,8-13H2,1-2H3
InChIKeyXZSYRGJLKOJAOI-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
N-methyl-2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115211208
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398
N-(3-methylphenyl)-2-[methyl(2-piperidin-2-ylethyl)amino]acetamide
CID 66273632
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
N-methyl-N-(2-methylsulfanylethyl)-2-piperidin-2-ylethanamine
CID 112659937
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
N-(2-fluoroethyl)-N-methyl-2-piperidin-2-ylethanamine
CID 80696333
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The IUPAC name of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine (CID 115211204) is N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine is Cc1cccc(CCN(C)CCC2CCCCN2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
The InChIKey is XZSYRGJLKOJAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-6-5-7-16(14-15)9-12-19(2)13-10-17-8-3-4-11-18-17/h5-7,14,17-18H,3-4,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine?
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).