N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine

C13H21NO — CID 2845523

IUPACN-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-5-10-14(2)11-12-8-6-7-9-13(12)15-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyKQHYEOPHESUBGY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.93
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine

N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine (PubChem CID 2845523) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
PubChem CID2845523
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-5-10-14(2)11-12-8-6-7-9-13(12)15-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyKQHYEOPHESUBGY-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine (CID 2845523) is N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine?
The InChIKey is KQHYEOPHESUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-10-14(2)11-12-8-6-7-9-13(12)15-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine?
N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 2845523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).