2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine

C18H31NO — CID 107887072

IUPAC2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNCC(c1ccc(C)c(OC)c1)C(C)CCC
InChIInChI=1S/C18H31NO/c1-6-8-14(3)17(13-19-11-7-2)16-10-9-15(4)18(12-16)20-5/h9-10,12,14,17,19H,6-8,11,13H2,1-5H3
InChIKeyUDMRMDJHDJNSOJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.52
Rot. Bonds9

About 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine

2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine (PubChem CID 107887072) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
PubChem CID107887072
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
SMILESCCCNCC(c1ccc(C)c(OC)c1)C(C)CCC
InChIInChI=1S/C18H31NO/c1-6-8-14(3)17(13-19-11-7-2)16-10-9-15(4)18(12-16)20-5/h9-10,12,14,17,19H,6-8,11,13H2,1-5H3
InChIKeyUDMRMDJHDJNSOJ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.52
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

N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 107887070
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887077
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
2-(3,5-difluorophenyl)-3-methyl-N-propylhexan-1-amine
CID 107887170
2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpropan-1-amine
CID 62484519
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
3-methyl-2-(2-methyl-5-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63497031
2-(3,5-difluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 79443679
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine?
The IUPAC name of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine (CID 107887072) is 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine?
The canonical SMILES for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine is CCCNCC(c1ccc(C)c(OC)c1)C(C)CCC.
What is the InChIKey of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine?
The InChIKey is UDMRMDJHDJNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-14(3)17(13-19-11-7-2)16-10-9-15(4)18(12-16)20-5/h9-10,12,14,17,19H,6-8,11,13H2,1-5H3.
What are the key properties of 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine?
2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 107887072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).