1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine

C18H25NO2 — CID 115492270

IUPAC1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCCCc1ccc(OC(c2ccco2)C(N)CC)cc1
InChIInChI=1S/C18H25NO2/c1-3-5-7-14-9-11-15(12-10-14)21-18(16(19)4-2)17-8-6-13-20-17/h6,8-13,16,18H,3-5,7,19H2,1-2H3
InChIKeyFSMRXBHRDLFKOI-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.48
Rot. Bonds8

About 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine

1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine (PubChem CID 115492270) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
PubChem CID115492270
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine
SMILESCCCCc1ccc(OC(c2ccco2)C(N)CC)cc1
InChIInChI=1S/C18H25NO2/c1-3-5-7-14-9-11-15(12-10-14)21-18(16(19)4-2)17-8-6-13-20-17/h6,8-13,16,18H,3-5,7,19H2,1-2H3
InChIKeyFSMRXBHRDLFKOI-UHFFFAOYSA-N
XLogP4.48
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 62549234
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
1-(3-chloro-2-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 116688786
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419
furan-2-yl-(4-propylphenyl)methanamine
CID 43464285
1-(5-bromothiophen-2-yl)-1-(4-propylphenoxy)butan-2-amine
CID 63461783
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
O-(4-butylphenyl)hydroxylamine
CID 176620577
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
3-(4-butylphenoxy)butan-2-ol
CID 115492969

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine (CID 115492270) is 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine is CCCCc1ccc(OC(c2ccco2)C(N)CC)cc1.
What is the InChIKey of 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine?
The InChIKey is FSMRXBHRDLFKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-5-7-14-9-11-15(12-10-14)21-18(16(19)4-2)17-8-6-13-20-17/h6,8-13,16,18H,3-5,7,19H2,1-2H3.
What are the key properties of 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine?
1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenoxy)-1-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 115492270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).