N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

C17H28N2 — CID 43308252

IUPACN-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCc1ccccc1C(C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-5-6-10-17(13)15(3)18-14(2)16-9-7-11-19(4)12-16/h5-6,8,10,14-16,18H,7,9,11-12H2,1-4H3
InChIKeyZONBNJXRILSZGY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine

N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 43308252) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID43308252
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
SMILESCc1ccccc1C(C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-5-6-10-17(13)15(3)18-14(2)16-9-7-11-19(4)12-16/h5-6,8,10,14-16,18H,7,9,11-12H2,1-4H3
InChIKeyZONBNJXRILSZGY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81380093
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
4-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]benzonitrile
CID 43692380
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81375624

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine (CID 43308252) is N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine is Cc1ccccc1C(C)NC(C)C1CCCN(C)C1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is ZONBNJXRILSZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-5-6-10-17(13)15(3)18-14(2)16-9-7-11-19(4)12-16/h5-6,8,10,14-16,18H,7,9,11-12H2,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine?
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 4 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-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 43308252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).