4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine

C18H31NO2 — CID 103183665

IUPAC4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCCOC)c1cccc(C)c1
InChIInChI=1S/C18H31NO2/c1-4-10-19-15-18(9-13-21-12-6-11-20-3)17-8-5-7-16(2)14-17/h5,7-8,14,18-19H,4,6,9-13,15H2,1-3H3
InChIKeyVWPFLLXWHZTJJX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.52
Rot. Bonds12

About 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine

4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine (PubChem CID 103183665) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
PubChem CID103183665
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCCOC)c1cccc(C)c1
InChIInChI=1S/C18H31NO2/c1-4-10-19-15-18(9-13-21-12-6-11-20-3)17-8-5-7-16(2)14-17/h5,7-8,14,18-19H,4,6,9-13,15H2,1-3H3
InChIKeyVWPFLLXWHZTJJX-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine (CID 103183665) is 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine is CCCNCC(CCOCCCOC)c1cccc(C)c1.
What is the InChIKey of 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is VWPFLLXWHZTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-10-19-15-18(9-13-21-12-6-11-20-3)17-8-5-7-16(2)14-17/h5,7-8,14,18-19H,4,6,9-13,15H2,1-3H3.
What are the key properties of 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine?
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 103183665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).