3-propoxy-1-(4-propylphenyl)propan-1-amine

C15H25NO — CID 105144351

IUPAC3-propoxy-1-(4-propylphenyl)propan-1-amine
SMILESCCCOCCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C15H25NO/c1-3-5-13-6-8-14(9-7-13)15(16)10-12-17-11-4-2/h6-9,15H,3-5,10-12,16H2,1-2H3
InChIKeyHLJOQBUQVFTMPR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds8

About 3-propoxy-1-(4-propylphenyl)propan-1-amine

3-propoxy-1-(4-propylphenyl)propan-1-amine (PubChem CID 105144351) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-propoxy-1-(4-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-propoxy-1-(4-propylphenyl)propan-1-amine
PubChem CID105144351
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-propoxy-1-(4-propylphenyl)propan-1-amine
SMILESCCCOCCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C15H25NO/c1-3-5-13-6-8-14(9-7-13)15(16)10-12-17-11-4-2/h6-9,15H,3-5,10-12,16H2,1-2H3
InChIKeyHLJOQBUQVFTMPR-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
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

2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
CID 43127522
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
2-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
1-[4-(2-methoxyethyl)phenyl]decan-1-amine
CID 65449887
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
ethyl 6-amino-6-(4-propylphenyl)hexanoate
CID 60862663
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 61451468

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-(4-propylphenyl)propan-1-amine?
The IUPAC name of 3-propoxy-1-(4-propylphenyl)propan-1-amine (CID 105144351) is 3-propoxy-1-(4-propylphenyl)propan-1-amine.
What is the SMILES notation for 3-propoxy-1-(4-propylphenyl)propan-1-amine?
The canonical SMILES for 3-propoxy-1-(4-propylphenyl)propan-1-amine is CCCOCCC(N)c1ccc(CCC)cc1.
What is the InChIKey of 3-propoxy-1-(4-propylphenyl)propan-1-amine?
The InChIKey is HLJOQBUQVFTMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-5-13-6-8-14(9-7-13)15(16)10-12-17-11-4-2/h6-9,15H,3-5,10-12,16H2,1-2H3.
What are the key properties of 3-propoxy-1-(4-propylphenyl)propan-1-amine?
3-propoxy-1-(4-propylphenyl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-(4-propylphenyl)propan-1-amine is sourced from PubChem (CID 105144351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).