3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine

C18H30N2O — CID 106636309

IUPAC3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCc1ccc(OCCCN(C)CC2CCCNC2)cc1C
InChIInChI=1S/C18H30N2O/c1-15-7-8-18(12-16(15)2)21-11-5-10-20(3)14-17-6-4-9-19-13-17/h7-8,12,17,19H,4-6,9-11,13-14H2,1-3H3
InChIKeyLOPMVNNZXAYTKZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.00
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine

3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106636309) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106636309
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCc1ccc(OCCCN(C)CC2CCCNC2)cc1C
InChIInChI=1S/C18H30N2O/c1-15-7-8-18(12-16(15)2)21-11-5-10-20(3)14-17-6-4-9-19-13-17/h7-8,12,17,19H,4-6,9-11,13-14H2,1-3H3
InChIKeyLOPMVNNZXAYTKZ-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.00
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

N-methyl-2-(4-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929845
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 103815664
N-methyl-2-(2-methylphenoxy)-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929851
N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine
CID 63299801
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
3-[2-(3,4-dimethylphenoxy)ethyl]azetidine
CID 107391539
(3S)-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine
CID 86321569
N-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 106623723
N-[2-(4-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640448
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106636309) is 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine is Cc1ccc(OCCCN(C)CC2CCCNC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is LOPMVNNZXAYTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-7-8-18(12-16(15)2)21-11-5-10-20(3)14-17-6-4-9-19-13-17/h7-8,12,17,19H,4-6,9-11,13-14H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine?
3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106636309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).