1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine

C14H17NO — CID 43624832

IUPAC1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C14H17NO/c1-10-6-11(2)8-12(7-10)14-5-4-13(16-14)9-15-3/h4-8,15H,9H2,1-3H3
InChIKeyWEKGSVIHQHMCNP-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.28
Rot. Bonds3

About 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine

1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine (PubChem CID 43624832) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
PubChem CID43624832
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)cc(C)c2)o1
InChIInChI=1S/C14H17NO/c1-10-6-11(2)8-12(7-10)14-5-4-13(16-14)9-15-3/h4-8,15H,9H2,1-3H3
InChIKeyWEKGSVIHQHMCNP-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624822
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782
1-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62453412
1-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylmethanamine
CID 61229603
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
4-[5-(methylaminomethyl)furan-2-yl]benzoic acid
CID 17056061
1-[5-(1-benzofuran-2-yl)furan-2-yl]-N-methylmethanamine
CID 106888140
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 66476989
1-[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]-N-methylmethanamine
CID 107293985
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
1-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-N-methylmethanamine
CID 107812054
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine (CID 43624832) is 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)cc(C)c2)o1.
What is the InChIKey of 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine?
The InChIKey is WEKGSVIHQHMCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-6-11(2)8-12(7-10)14-5-4-13(16-14)9-15-3/h4-8,15H,9H2,1-3H3.
What are the key properties of 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine?
1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenyl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 43624832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).