N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

C18H25NO — CID 43625510

IUPACN-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccoc1C
InChIInChI=1S/C18H25NO/c1-5-11-19-18(17-10-12-20-14(17)4)16-8-6-15(7-9-16)13(2)3/h6-10,12-13,18-19H,5,11H2,1-4H3
InChIKeyWQHJRWGKBYMFTB-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.80
Rot. Bonds6

About N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 43625510) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID43625510
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccoc1C
InChIInChI=1S/C18H25NO/c1-5-11-19-18(17-10-12-20-14(17)4)16-8-6-15(7-9-16)13(2)3/h6-10,12-13,18-19H,5,11H2,1-4H3
InChIKeyWQHJRWGKBYMFTB-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)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-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
N-[(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104657714
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891
N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 43495287
N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 43625510) is N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)c1ccoc1C.
What is the InChIKey of N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is WQHJRWGKBYMFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-11-19-18(17-10-12-20-14(17)4)16-8-6-15(7-9-16)13(2)3/h6-10,12-13,18-19H,5,11H2,1-4H3.
What are the key properties of N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43625510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).