(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

C15H24N2 — CID 93489665

IUPAC(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1cccc([C@@H](CN)N2CCC(C)CC2)c1
InChIInChI=1S/C15H24N2/c1-12-6-8-17(9-7-12)15(11-16)14-5-3-4-13(2)10-14/h3-5,10,12,15H,6-9,11,16H2,1-2H3/t15-/m1/s1
InChIKeyWGZCZGXGPLENLO-OAHLLOKOSA-N
MW232.37 g/mol
LogP2.73
Rot. Bonds3

About (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine

(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (PubChem CID 93489665) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
PubChem CID93489665
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
SMILESCc1cccc([C@@H](CN)N2CCC(C)CC2)c1
InChIInChI=1S/C15H24N2/c1-12-6-8-17(9-7-12)15(11-16)14-5-3-4-13(2)10-14/h3-5,10,12,15H,6-9,11,16H2,1-2H3/t15-/m1/s1
InChIKeyWGZCZGXGPLENLO-OAHLLOKOSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489474
1-[2-amino-1-(3-methylphenyl)ethyl]-3-methylpiperidin-4-ol
CID 114677976
2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
2-(3-methylphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 113416955
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-(3-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63622193
2-(3-ethylpiperidin-1-yl)-2-(3-methylphenyl)ethanamine
CID 43584386
2-(4-bromo-3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 81436946
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-methylphenyl)ethanamine
CID 63605560
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(4-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16642740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The IUPAC name of (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine (CID 93489665) is (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is Cc1cccc([C@@H](CN)N2CCC(C)CC2)c1.
What is the InChIKey of (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
The InChIKey is WGZCZGXGPLENLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-8-17(9-7-12)15(11-16)14-5-3-4-13(2)10-14/h3-5,10,12,15H,6-9,11,16H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine?
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 93489665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).