2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine

C16H26N2 — CID 115209373

IUPAC2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCc1ccc(C)c(CCNCC2CCCCN2)c1
InChIInChI=1S/C16H26N2/c1-13-6-7-14(2)15(11-13)8-10-17-12-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3
InChIKeyZVYBAZYNKGQRMQ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.58
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine

2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 115209373) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID115209373
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESCc1ccc(C)c(CCNCC2CCCCN2)c1
InChIInChI=1S/C16H26N2/c1-13-6-7-14(2)15(11-13)8-10-17-12-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3
InChIKeyZVYBAZYNKGQRMQ-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.58
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-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 115209373) is 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine is Cc1ccc(C)c(CCNCC2CCCCN2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is ZVYBAZYNKGQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-7-14(2)15(11-13)8-10-17-12-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine?
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115209373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).