N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine

C16H27NO2 — CID 62572869

IUPACN-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-6-7-12-17-13-14(3)19-16-10-8-15(9-11-16)18-5-2/h8-11,14,17H,4-7,12-13H2,1-3H3
InChIKeyJGGYAXPDVQVSTF-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds10

About N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine

N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine (PubChem CID 62572869) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
PubChem CID62572869
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Oc1ccc(OCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-6-7-12-17-13-14(3)19-16-10-8-15(9-11-16)18-5-2/h8-11,14,17H,4-7,12-13H2,1-3H3
InChIKeyJGGYAXPDVQVSTF-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
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

N-[2-(4-fluorophenoxy)propyl]pentan-1-amine
CID 62570899
N-[2-(4-chlorophenoxy)propyl]heptan-1-amine
CID 54797550
N-[2-(4-tert-butylphenoxy)propyl]pentan-1-amine
CID 63505573
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
2-(4-butylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 115493375

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine (CID 62572869) is N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine is CCCCCNCC(C)Oc1ccc(OCC)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine?
The InChIKey is JGGYAXPDVQVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-6-7-12-17-13-14(3)19-16-10-8-15(9-11-16)18-5-2/h8-11,14,17H,4-7,12-13H2,1-3H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine?
N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62572869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).