N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine

C15H19NO — CID 60664695

IUPACN-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccco2)c1
InChIInChI=1S/C15H19NO/c1-11-6-7-12(2)14(9-11)10-16-13(3)15-5-4-8-17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyHISPOIDQZZJHDD-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds4

About N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine

N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 60664695) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID60664695
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1ccc(C)c(CNC(C)c2ccco2)c1
InChIInChI=1S/C15H19NO/c1-11-6-7-12(2)14(9-11)10-16-13(3)15-5-4-8-17-15/h4-9,13,16H,10H2,1-3H3
InChIKeyHISPOIDQZZJHDD-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N'-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60658274
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
(1R)-N-[(2,5-difluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402970
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
(1R)-N-[(2,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397936
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 8920388

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine (CID 60664695) is N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine is Cc1ccc(C)c(CNC(C)c2ccco2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is HISPOIDQZZJHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-6-7-12(2)14(9-11)10-16-13(3)15-5-4-8-17-15/h4-9,13,16H,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine?
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 60664695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).