3-(4-hexoxyphenoxy)propan-1-amine

C15H25NO2 — CID 90318959

IUPAC3-(4-hexoxyphenoxy)propan-1-amine
SMILESCCCCCCOc1ccc(OCCCN)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-12-17-14-7-9-15(10-8-14)18-13-6-11-16/h7-10H,2-6,11-13,16H2,1H3
InChIKeyNWMBMPUKVLKPGO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds10

About 3-(4-hexoxyphenoxy)propan-1-amine

3-(4-hexoxyphenoxy)propan-1-amine (PubChem CID 90318959) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(4-hexoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4-hexoxyphenoxy)propan-1-amine
PubChem CID90318959
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(4-hexoxyphenoxy)propan-1-amine
SMILESCCCCCCOc1ccc(OCCCN)cc1
InChIInChI=1S/C15H25NO2/c1-2-3-4-5-12-17-14-7-9-15(10-8-14)18-13-6-11-16/h7-10H,2-6,11-13,16H2,1H3
InChIKeyNWMBMPUKVLKPGO-UHFFFAOYSA-N
XLogP3.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
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

1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
1,4-dipentoxybenzene
CID 18314717
4-(4-heptylphenoxy)butan-1-amine
CID 164576429
3-[4-(3-aminopropoxy)phenoxy]propan-1-amine
CID 3650737
(4-decoxyphenyl)methanamine
CID 55187501
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179
1-methoxy-4-tetradecoxybenzene
CID 91712423
4-(4-hexoxyphenyl)heptan-1-amine
CID 83932661

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxyphenoxy)propan-1-amine?
The IUPAC name of 3-(4-hexoxyphenoxy)propan-1-amine (CID 90318959) is 3-(4-hexoxyphenoxy)propan-1-amine.
What is the SMILES notation for 3-(4-hexoxyphenoxy)propan-1-amine?
The canonical SMILES for 3-(4-hexoxyphenoxy)propan-1-amine is CCCCCCOc1ccc(OCCCN)cc1.
What is the InChIKey of 3-(4-hexoxyphenoxy)propan-1-amine?
The InChIKey is NWMBMPUKVLKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-4-5-12-17-14-7-9-15(10-8-14)18-13-6-11-16/h7-10H,2-6,11-13,16H2,1H3.
What are the key properties of 3-(4-hexoxyphenoxy)propan-1-amine?
3-(4-hexoxyphenoxy)propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxyphenoxy)propan-1-amine is sourced from PubChem (CID 90318959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).