2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C16H26N2O — CID 62659459

IUPAC2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCc1cccc(OCCNCC2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-4-3-5-16(12-14)19-11-8-17-13-15-6-9-18(2)10-7-15/h3-5,12,15,17H,6-11,13H2,1-2H3
InChIKeyNQNOZZKNRMAZRK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 62659459) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID62659459
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESCc1cccc(OCCNCC2CCN(C)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-4-3-5-16(12-14)19-11-8-17-13-15-6-9-18(2)10-7-15/h3-5,12,15,17H,6-11,13H2,1-2H3
InChIKeyNQNOZZKNRMAZRK-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512965
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
1-[2-[2-(3-methylphenoxy)ethylamino]ethyl]imidazolidin-2-one
CID 55013001
2-(3-chlorophenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142231301
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
N-[(3-chloro-4-methylphenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 106816722

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 62659459) is 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is Cc1cccc(OCCNCC2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is NQNOZZKNRMAZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-4-3-5-16(12-14)19-11-8-17-13-15-6-9-18(2)10-7-15/h3-5,12,15,17H,6-11,13H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 62659459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).