N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine

C16H27NO2 — CID 65092226

IUPACN-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(CCCOC)NCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-12-19-15-10-8-14(9-11-15)16(17-5-2)7-6-13-18-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyFSPMJLCWUFJJFJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine

N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine (PubChem CID 65092226) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
PubChem CID65092226
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(C(CCCOC)NCC)cc1
InChIInChI=1S/C16H27NO2/c1-4-12-19-15-10-8-14(9-11-15)16(17-5-2)7-6-13-18-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyFSPMJLCWUFJJFJ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
N-ethyl-4-methoxy-1-(5-methylfuran-3-yl)butan-1-amine
CID 105055011
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine (CID 65092226) is N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine is CCCOc1ccc(C(CCCOC)NCC)cc1.
What is the InChIKey of N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine?
The InChIKey is FSPMJLCWUFJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-12-19-15-10-8-14(9-11-15)16(17-5-2)7-6-13-18-3/h8-11,16-17H,4-7,12-13H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine?
N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-(4-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 65092226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).