N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine

C18H25NO2 — CID 43432860

IUPACN-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCCCCOc1ccc(CNC(C)Cc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-3-4-11-20-17-9-7-16(8-10-17)14-19-15(2)13-18-6-5-12-21-18/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3
InChIKeyHSGKKOXISJHDPR-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.18
Rot. Bonds9

About N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 43432860) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID43432860
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCCCCOc1ccc(CNC(C)Cc2ccco2)cc1
InChIInChI=1S/C18H25NO2/c1-3-4-11-20-17-9-7-16(8-10-17)14-19-15(2)13-18-6-5-12-21-18/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3
InChIKeyHSGKKOXISJHDPR-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.18
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

1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(1-ethylpyrrol-3-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66416684
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-2-methoxyphenol
CID 43432891
N-[(4-butoxyphenyl)methyl]-1,3-diphenylpropan-2-amine
CID 97301836

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine (CID 43432860) is N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine is CCCCOc1ccc(CNC(C)Cc2ccco2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is HSGKKOXISJHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-4-11-20-17-9-7-16(8-10-17)14-19-15(2)13-18-6-5-12-21-18/h5-10,12,15,19H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 43432860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).