N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

C17H28N2 — CID 43749115

IUPACN-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1ccccc1C(C)NC(C)CN1CCCCC1
InChIInChI=1S/C17H28N2/c1-14-9-5-6-10-17(14)16(3)18-15(2)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,18H,4,7-8,11-13H2,1-3H3
InChIKeyDPVVURNYJKXWIU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749115) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749115
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1ccccc1C(C)NC(C)CN1CCCCC1
InChIInChI=1S/C17H28N2/c1-14-9-5-6-10-17(14)16(3)18-15(2)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,18H,4,7-8,11-13H2,1-3H3
InChIKeyDPVVURNYJKXWIU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
ethane;1-[2-(2-methylphenyl)propyl]pyrrolidine
CID 143114244
2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
3-(azepan-1-yl)-2-(2-methylphenyl)propanoic acid
CID 117244237
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749115) is N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is Cc1ccccc1C(C)NC(C)CN1CCCCC1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is DPVVURNYJKXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-9-5-6-10-17(14)16(3)18-15(2)13-19-11-7-4-8-12-19/h5-6,9-10,15-16,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).