N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

C19H27NO — CID 79094480

IUPACN-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccc(CC)o2)cc1
InChIInChI=1S/C19H27NO/c1-4-7-8-15-9-11-16(12-10-15)19(20-6-3)18-14-13-17(5-2)21-18/h9-14,19-20H,4-8H2,1-3H3
InChIKeyMHAYWIULANPHHG-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.88
Rot. Bonds8

About N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 79094480) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID79094480
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCCCc1ccc(C(NCC)c2ccc(CC)o2)cc1
InChIInChI=1S/C19H27NO/c1-4-7-8-15-9-11-16(12-10-15)19(20-6-3)18-14-13-17(5-2)21-18/h9-14,19-20H,4-8H2,1-3H3
InChIKeyMHAYWIULANPHHG-UHFFFAOYSA-N
XLogP4.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
N-[(5-chlorofuran-2-yl)-(4-ethylphenyl)methyl]ethanamine
CID 106684213
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-ethyl-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 62346766
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 79094480) is N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCCCc1ccc(C(NCC)c2ccc(CC)o2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is MHAYWIULANPHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-7-8-15-9-11-16(12-10-15)19(20-6-3)18-14-13-17(5-2)21-18/h9-14,19-20H,4-8H2,1-3H3.
What are the key properties of N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 79094480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).