N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine

C15H19NO — CID 43489925

IUPACN-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1ccc(C)cc1C
InChIInChI=1S/C15H19NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)10-12(13)3/h5-10,15-16H,4H2,1-3H3
InChIKeyWADVQXOSAWEYPS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.60
Rot. Bonds4

About N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine

N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine (PubChem CID 43489925) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
PubChem CID43489925
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccco1)c1ccc(C)cc1C
InChIInChI=1S/C15H19NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)10-12(13)3/h5-10,15-16H,4H2,1-3H3
InChIKeyWADVQXOSAWEYPS-UHFFFAOYSA-N
XLogP3.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[1-benzofuran-2-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 63091494
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(2,6-dimethyl-4-pyridinyl)-(furan-2-yl)methyl]ethanamine
CID 107503948
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
N-[(2-bromo-3,4-difluorophenyl)-(furan-2-yl)methyl]ethanamine
CID 107539325

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine (CID 43489925) is N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine is CCNC(c1ccco1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine?
The InChIKey is WADVQXOSAWEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-16-15(14-6-5-9-17-14)13-8-7-11(2)10-12(13)3/h5-10,15-16H,4H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine?
N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine is sourced from PubChem (CID 43489925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).