N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine

C16H26N2 — CID 115211094

IUPACN-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
SMILESCc1ccc(CNCCC2CCCCN2)c(C)c1
InChIInChI=1S/C16H26N2/c1-13-6-7-15(14(2)11-13)12-17-10-8-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3
InChIKeyBPHZLIWZNFWQQS-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.93
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine

N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine (PubChem CID 115211094) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
PubChem CID115211094
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
SMILESCc1ccc(CNCCC2CCCCN2)c(C)c1
InChIInChI=1S/C16H26N2/c1-13-6-7-15(14(2)11-13)12-17-10-8-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3
InChIKeyBPHZLIWZNFWQQS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
CID 143196331
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
CID 28749787
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211100
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine (CID 115211094) is N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine is Cc1ccc(CNCCC2CCCCN2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine?
The InChIKey is BPHZLIWZNFWQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-6-7-15(14(2)11-13)12-17-10-8-16-5-3-4-9-18-16/h6-7,11,16-18H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine?
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine is sourced from PubChem (CID 115211094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).