N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine

C18H25NO — CID 43624940

IUPACN-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C18H25NO/c1-4-5-6-15-7-9-16(10-8-15)18-12-11-17(20-18)13-19-14(2)3/h7-12,14,19H,4-6,13H2,1-3H3
InChIKeyKGZBYNBNRCAGLL-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.79
Rot. Bonds7

About N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 43624940) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID43624940
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2ccc(CNC(C)C)o2)cc1
InChIInChI=1S/C18H25NO/c1-4-5-6-15-7-9-16(10-8-15)18-12-11-17(20-18)13-19-14(2)3/h7-12,14,19H,4-6,13H2,1-3H3
InChIKeyKGZBYNBNRCAGLL-UHFFFAOYSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine (CID 43624940) is N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine is CCCCc1ccc(-c2ccc(CNC(C)C)o2)cc1.
What is the InChIKey of N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is KGZBYNBNRCAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-5-6-15-7-9-16(10-8-15)18-12-11-17(20-18)13-19-14(2)3/h7-12,14,19H,4-6,13H2,1-3H3.
What are the key properties of N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 43624940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).