N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine

C15H24FNO — CID 62997090

IUPACN-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCCCCOCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-10-18-11-9-17-13(2)12-14-5-7-15(16)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyIEFMBBXUBFJQIF-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.16
Rot. Bonds9

About N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine

N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 62997090) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
PubChem CID62997090
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCCCCOCCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-4-10-18-11-9-17-13(2)12-14-5-7-15(16)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyIEFMBBXUBFJQIF-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.16
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-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
2-(2-butoxyethylamino)propan-1-ol
CID 61483425

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine (CID 62997090) is N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine is CCCCOCCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is IEFMBBXUBFJQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-4-10-18-11-9-17-13(2)12-14-5-7-15(16)8-6-14/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine?
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62997090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).