1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine

C13H15NO — CID 159375984

IUPAC1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H15NO/c1-14(2)10-11-5-7-12(8-6-11)13-4-3-9-15-13/h3-9H,10H2,1-2H3
InChIKeyLKIAHCVACDKFHQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.01
Rot. Bonds3

About 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine

1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine (PubChem CID 159375984) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine
PubChem CID159375984
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccco2)cc1
InChIInChI=1S/C13H15NO/c1-14(2)10-11-5-7-12(8-6-11)13-4-3-9-15-13/h3-9H,10H2,1-2H3
InChIKeyLKIAHCVACDKFHQ-UHFFFAOYSA-N
XLogP3.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-yl)phenyl]ethanol
CID 168524630
2-[4-(phenoxymethyl)phenyl]furan
CID 168528432
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253
4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
ethane;2-(furan-2-yl)furan
CID 161366084
5-(furan-2-yl)-N,N-dimethylpyridin-2-amine
CID 91664813
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine (CID 159375984) is 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is LKIAHCVACDKFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14(2)10-11-5-7-12(8-6-11)13-4-3-9-15-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine?
1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 201.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 159375984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).