5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine

C16H27NO — CID 79417297

IUPAC5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-10-17-13-16(9-6-11-18-3)15-8-5-7-14(2)12-15/h5,7-8,12,16-17H,4,6,9-11,13H2,1-3H3
InChIKeyIRFYBLZOZJVXKK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.50
Rot. Bonds9

About 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine

5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine (PubChem CID 79417297) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
PubChem CID79417297
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
SMILESCCCNCC(CCCOC)c1cccc(C)c1
InChIInChI=1S/C16H27NO/c1-4-10-17-13-16(9-6-11-18-3)15-8-5-7-14(2)12-15/h5,7-8,12,16-17H,4,6,9-11,13H2,1-3H3
InChIKeyIRFYBLZOZJVXKK-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.50
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

6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine (CID 79417297) is 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine is CCCNCC(CCCOC)c1cccc(C)c1.
What is the InChIKey of 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine?
The InChIKey is IRFYBLZOZJVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-10-17-13-16(9-6-11-18-3)15-8-5-7-14(2)12-15/h5,7-8,12,16-17H,4,6,9-11,13H2,1-3H3.
What are the key properties of 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine?
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 79417297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).