N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine

C16H27NO2 — CID 62598795

IUPACN-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccccc1CC
InChIInChI=1S/C16H27NO2/c1-4-15-9-6-7-10-16(15)19-14(3)13-17-11-8-12-18-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyQNPNZNBNVLDDEM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine

N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine (PubChem CID 62598795) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
PubChem CID62598795
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine
SMILESCCOCCCNCC(C)Oc1ccccc1CC
InChIInChI=1S/C16H27NO2/c1-4-15-9-6-7-10-16(15)19-14(3)13-17-11-8-12-18-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyQNPNZNBNVLDDEM-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

2-(2-ethoxyphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572264
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
N-(3-ethoxypropyl)-2-(4-methoxyphenoxy)propan-1-amine
CID 62571705
2-(4-chloro-3-ethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597357
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
2-(4-bromo-2-fluorophenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62598384
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
2-(3-tert-butylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62597760
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
N-[2-(2-methoxyphenoxy)propyl]pentan-1-amine
CID 62572608
N-(3-ethoxypropyl)-2-[(2-methylphenyl)methylsulfanyl]propan-1-amine
CID 62770036

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine?
The IUPAC name of N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine (CID 62598795) is N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine is CCOCCCNCC(C)Oc1ccccc1CC.
What is the InChIKey of N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine?
The InChIKey is QNPNZNBNVLDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-15-9-6-7-10-16(15)19-14(3)13-17-11-8-12-18-5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine?
N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(2-ethylphenoxy)propan-1-amine is sourced from PubChem (CID 62598795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).