4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine

C17H29NO2 — CID 79436715

IUPAC4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCOC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2/c1-4-10-18-14-17(9-11-20-13-12-19-3)16-7-5-15(2)6-8-16/h5-8,17-18H,4,9-14H2,1-3H3
InChIKeyKQUWBJSGIHIJOU-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.13
Rot. Bonds11

About 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine

4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine (PubChem CID 79436715) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
PubChem CID79436715
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCOC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO2/c1-4-10-18-14-17(9-11-20-13-12-19-3)16-7-5-15(2)6-8-16/h5-8,17-18H,4,9-14H2,1-3H3
InChIKeyKQUWBJSGIHIJOU-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.13
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

2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-chlorophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183686
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
4-(2-methoxyethoxy)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 79421909
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79436142

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine (CID 79436715) is 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine is CCCNCC(CCOCCOC)c1ccc(C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is KQUWBJSGIHIJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-10-18-14-17(9-11-20-13-12-19-3)16-7-5-15(2)6-8-16/h5-8,17-18H,4,9-14H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine?
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 79436715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).