3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine

C17H29NO — CID 43102654

IUPAC3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCOC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)15(4)18-12-6-13-19-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyJDVGIGVWHVCWGU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds9

About 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine

3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine (PubChem CID 43102654) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
PubChem CID43102654
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
SMILESCCCc1ccc(C(C)NCCCOC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)15(4)18-12-6-13-19-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyJDVGIGVWHVCWGU-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43108754
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066
N-[1-(4-methylsulfonylphenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43207436
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine (CID 43102654) is 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine is CCCc1ccc(C(C)NCCCOC(C)C)cc1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
The InChIKey is JDVGIGVWHVCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-16-8-10-17(11-9-16)15(4)18-12-6-13-19-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine?
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43102654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).