5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine

C14H23NO — CID 62603606

IUPAC5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-6-8-13(9-7-12)11-14(15-2)5-4-10-16-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUFFHVNSGLUSRGR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds7

About 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine

5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine (PubChem CID 62603606) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
PubChem CID62603606
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCNC(CCCOC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-12-6-8-13(9-7-12)11-14(15-2)5-4-10-16-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyUFFHVNSGLUSRGR-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
1-(2,5-dimethylphenyl)-6-methoxy-N-methylhexan-2-amine
CID 112754817
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
N-ethyl-1-(4-ethylphenyl)-5-methoxypentan-2-amine
CID 65091874
4-[5-methoxy-2-(methylamino)pentyl]pyridin-2-amine
CID 65091866
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
5-methoxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 54935563
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine (CID 62603606) is 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine is CNC(CCCOC)Cc1ccc(C)cc1.
What is the InChIKey of 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The InChIKey is UFFHVNSGLUSRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-6-8-13(9-7-12)11-14(15-2)5-4-10-16-3/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine?
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 62603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).