2-(pentylamino)-1-(4-propoxyphenyl)ethanol

C16H27NO2 — CID 82314080

IUPAC2-(pentylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCCCNCC(O)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyFJLJUDRJVQNZDW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds10

About 2-(pentylamino)-1-(4-propoxyphenyl)ethanol

2-(pentylamino)-1-(4-propoxyphenyl)ethanol (PubChem CID 82314080) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(pentylamino)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(pentylamino)-1-(4-propoxyphenyl)ethanol
PubChem CID82314080
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(pentylamino)-1-(4-propoxyphenyl)ethanol
SMILESCCCCCNCC(O)c1ccc(OCCC)cc1
InChIInChI=1S/C16H27NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,16-18H,3-6,11-13H2,1-2H3
InChIKeyFJLJUDRJVQNZDW-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
[4-[1-hydroxy-2-(octylamino)ethyl]phenyl] acetate
CID 138558245
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
2-(furan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314079
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
2-bromo-1-(4-octoxyphenyl)ethanol
CID 118331988

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(pentylamino)-1-(4-propoxyphenyl)ethanol (CID 82314080) is 2-(pentylamino)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(pentylamino)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(pentylamino)-1-(4-propoxyphenyl)ethanol is CCCCCNCC(O)c1ccc(OCCC)cc1.
What is the InChIKey of 2-(pentylamino)-1-(4-propoxyphenyl)ethanol?
The InChIKey is FJLJUDRJVQNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-6-11-17-13-16(18)14-7-9-15(10-8-14)19-12-4-2/h7-10,16-18H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(pentylamino)-1-(4-propoxyphenyl)ethanol?
2-(pentylamino)-1-(4-propoxyphenyl)ethanol has a molecular weight of 265.40 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 82314080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).