N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine

C18H31NO2 — CID 115493389

IUPACN-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
SMILESCCCCc1ccc(OCCNCCCCOCC)cc1
InChIInChI=1S/C18H31NO2/c1-3-5-8-17-9-11-18(12-10-17)21-16-14-19-13-6-7-15-20-4-2/h9-12,19H,3-8,13-16H2,1-2H3
InChIKeyYKPHSLYLBGYZMJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.81
Rot. Bonds13

About N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine

N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine (PubChem CID 115493389) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
PubChem CID115493389
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
SMILESCCCCc1ccc(OCCNCCCCOCC)cc1
InChIInChI=1S/C18H31NO2/c1-3-5-8-17-9-11-18(12-10-17)21-16-14-19-13-6-7-15-20-4-2/h9-12,19H,3-8,13-16H2,1-2H3
InChIKeyYKPHSLYLBGYZMJ-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.81
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-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine (CID 115493389) is N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine is CCCCc1ccc(OCCNCCCCOCC)cc1.
What is the InChIKey of N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine?
The InChIKey is YKPHSLYLBGYZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-5-8-17-9-11-18(12-10-17)21-16-14-19-13-6-7-15-20-4-2/h9-12,19H,3-8,13-16H2,1-2H3.
What are the key properties of N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine?
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.81, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 115493389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).