N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine

C18H25NO — CID 43496090

IUPACN-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)c1cc(C)oc1C
InChIInChI=1S/C18H25NO/c1-6-9-19-18(17-11-14(4)20-15(17)5)16-10-12(2)7-8-13(16)3/h7-8,10-11,18-19H,6,9H2,1-5H3
InChIKeyOYGHPWUOMKOZSH-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.60
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine

N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43496090) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID43496090
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)ccc1C)c1cc(C)oc1C
InChIInChI=1S/C18H25NO/c1-6-9-19-18(17-11-14(4)20-15(17)5)16-10-12(2)7-8-13(16)3/h7-8,10-11,18-19H,6,9H2,1-5H3
InChIKeyOYGHPWUOMKOZSH-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63047740
N-[(4-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503981
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(2,6-difluoro-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 82797631
N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[(5-bromo-2-chlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503979
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(5-chloro-4-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 102764082
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine (CID 43496090) is N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)ccc1C)c1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is OYGHPWUOMKOZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-9-19-18(17-11-14(4)20-15(17)5)16-10-12(2)7-8-13(16)3/h7-8,10-11,18-19H,6,9H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).