2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

C15H24N2 — CID 80555044

IUPAC2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCc1cccc(CCNCC2CCCNC2)c1
InChIInChI=1S/C15H24N2/c1-13-4-2-5-14(10-13)7-9-17-12-15-6-3-8-16-11-15/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3
InChIKeyUSSOTPDCZPUDTC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.13
Rot. Bonds5

About 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine

2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 80555044) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID80555044
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCc1cccc(CCNCC2CCCNC2)c1
InChIInChI=1S/C15H24N2/c1-13-4-2-5-14(10-13)7-9-17-12-15-6-3-8-16-11-15/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3
InChIKeyUSSOTPDCZPUDTC-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83034566
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 80555044) is 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is Cc1cccc(CCNCC2CCCNC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is USSOTPDCZPUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-4-2-5-14(10-13)7-9-17-12-15-6-3-8-16-11-15/h2,4-5,10,15-17H,3,6-9,11-12H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 80555044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).