5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine

C17H29NO — CID 107668328

IUPAC5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-15(3)16-9-11-17(12-10-16)19-14-8-6-7-13-18-5-2/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKeyFUSGVEZHIBNCEU-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds10

About 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine

5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine (PubChem CID 107668328) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
PubChem CID107668328
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
SMILESCCNCCCCCOc1ccc(C(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-4-15(3)16-9-11-17(12-10-16)19-14-8-6-7-13-18-5-2/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKeyFUSGVEZHIBNCEU-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
(2S)-N-[3-[4-[(2R)-butan-2-yl]phenoxy]propyl]butan-2-amine
CID 2182699
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-ethyl-4-(4-fluorophenoxy)butan-1-amine
CID 62453789
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
N-[2-(4-butan-2-ylphenoxy)propyl]butan-1-amine
CID 107668612
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
5-(4-butan-2-ylphenoxy)pentanethioamide
CID 107664949

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine?
The IUPAC name of 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine (CID 107668328) is 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine.
What is the SMILES notation for 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine?
The canonical SMILES for 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine is CCNCCCCCOc1ccc(C(C)CC)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine?
The InChIKey is FUSGVEZHIBNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-15(3)16-9-11-17(12-10-16)19-14-8-6-7-13-18-5-2/h9-12,15,18H,4-8,13-14H2,1-3H3.
What are the key properties of 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine?
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine is sourced from PubChem (CID 107668328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).