N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

C17H23NO — CID 104790432

IUPACN-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccoc1C
InChIInChI=1S/C17H23NO/c1-4-10-18-17(16-9-11-19-13(16)3)15-8-6-7-14(5-2)12-15/h6-9,11-12,17-18H,4-5,10H2,1-3H3
InChIKeyKDZYDIJLOSWBGG-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.24
Rot. Bonds6

About N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 104790432) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID104790432
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccoc1C
InChIInChI=1S/C17H23NO/c1-4-10-18-17(16-9-11-19-13(16)3)15-8-6-7-14(5-2)12-15/h6-9,11-12,17-18H,4-5,10H2,1-3H3
InChIKeyKDZYDIJLOSWBGG-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine 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-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
N-[(2-bromofuran-3-yl)-(3-ethylphenyl)methyl]ethanamine
CID 106858285
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104657714
N-[(5-bromofuran-2-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018504
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (CID 104790432) is N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1ccoc1C.
What is the InChIKey of N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is KDZYDIJLOSWBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-10-18-17(16-9-11-19-13(16)3)15-8-6-7-14(5-2)12-15/h6-9,11-12,17-18H,4-5,10H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104790432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).