2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine

C13H21NO — CID 117108047

IUPAC2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCCOC)cc1
InChIInChI=1S/C13H21NO/c1-14-10-9-13-7-5-12(6-8-13)4-3-11-15-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyUWJGGNSXRWJIGP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.03
Rot. Bonds7

About 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine

2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine (PubChem CID 117108047) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
PubChem CID117108047
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCCOC)cc1
InChIInChI=1S/C13H21NO/c1-14-10-9-13-7-5-12(6-8-13)4-3-11-15-2/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyUWJGGNSXRWJIGP-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106092787
N-(2-methoxyethyl)-N-methyl-4-[2-(methylamino)ethyl]aniline
CID 148951067
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
2-[4-(3-methoxypropyl)phenyl]ethyl-dioxido-oxo-λ5-phosphane
CID 58454934
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
ethane;1-methoxy-4-(4-methoxybutyl)benzene
CID 143283222
N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 105347567
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
3-[4-[2-(methylamino)ethyl]phenyl]propyl thiohypofluorite
CID 138502739
N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
CID 82722149

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine (CID 117108047) is 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine is CNCCc1ccc(CCCOC)cc1.
What is the InChIKey of 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine?
The InChIKey is UWJGGNSXRWJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-10-9-13-7-5-12(6-8-13)4-3-11-15-2/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine?
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117108047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).