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

C17H29NO — CID 105165477

IUPAC4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1C)COCCC
InChIInChI=1S/C17H29NO/c1-4-12-18-17(14-19-13-5-2)11-10-16-9-7-6-8-15(16)3/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyUJMZOYRHADMIIH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.72
Rot. Bonds10

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

4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine (PubChem CID 105165477) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
PubChem CID105165477
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1C)COCCC
InChIInChI=1S/C17H29NO/c1-4-12-18-17(14-19-13-5-2)11-10-16-9-7-6-8-15(16)3/h6-9,17-18H,4-5,10-14H2,1-3H3
InChIKeyUJMZOYRHADMIIH-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.72
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

4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
4-(2-methylphenyl)-1-propoxybutan-2-ol
CID 105111883
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
4-(2-methylphenyl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105180056
N-[1-(2-ethylphenyl)-2-propoxyethyl]propan-1-amine
CID 105008300
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine?
The IUPAC name of 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine (CID 105165477) is 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine is CCCNC(CCc1ccccc1C)COCCC.
What is the InChIKey of 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine?
The InChIKey is UJMZOYRHADMIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-12-18-17(14-19-13-5-2)11-10-16-9-7-6-8-15(16)3/h6-9,17-18H,4-5,10-14H2,1-3H3.
What are the key properties of 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine?
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105165477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).