N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine

C17H29NO2 — CID 13143912

IUPACN-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine
SMILESCCCCCC(CCc1ccc(OC)cc1)ON(C)C
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-17(20-18(2)3)14-11-15-9-12-16(19-4)13-10-15/h9-10,12-13,17H,5-8,11,14H2,1-4H3
InChIKeyMGQPSGRFZMOHBC-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.07
Rot. Bonds10

About N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine

N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine (PubChem CID 13143912) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine
PubChem CID13143912
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine
SMILESCCCCCC(CCc1ccc(OC)cc1)ON(C)C
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-17(20-18(2)3)14-11-15-9-12-16(19-4)13-10-15/h9-10,12-13,17H,5-8,11,14H2,1-4H3
InChIKeyMGQPSGRFZMOHBC-UHFFFAOYSA-N
XLogP4.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine?
The IUPAC name of N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine (CID 13143912) is N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine?
The canonical SMILES for N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine is CCCCCC(CCc1ccc(OC)cc1)ON(C)C.
What is the InChIKey of N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine?
The InChIKey is MGQPSGRFZMOHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-8-17(20-18(2)3)14-11-15-9-12-16(19-4)13-10-15/h9-10,12-13,17H,5-8,11,14H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine?
N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine has a molecular weight of 279.42 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)octan-3-yloxy]-N-methylmethanamine is sourced from PubChem (CID 13143912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).