1-(2-methoxyphenyl)-N-methylhexan-1-amine

C14H23NO — CID 62608289

IUPAC1-(2-methoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-4-5-6-10-13(15-2)12-9-7-8-11-14(12)16-3/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyRQOLLVAVUHHBJI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-methylhexan-1-amine

1-(2-methoxyphenyl)-N-methylhexan-1-amine (PubChem CID 62608289) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methylhexan-1-amine
PubChem CID62608289
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-4-5-6-10-13(15-2)12-9-7-8-11-14(12)16-3/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyRQOLLVAVUHHBJI-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
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

1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methylhexan-1-amine (CID 62608289) is 1-(2-methoxyphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methylhexan-1-amine?
The InChIKey is RQOLLVAVUHHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-10-13(15-2)12-9-7-8-11-14(12)16-3/h7-9,11,13,15H,4-6,10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methylhexan-1-amine?
1-(2-methoxyphenyl)-N-methylhexan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 62608289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).