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

C16H21NO — CID 63084095

IUPAC1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(C)c2C)o1
InChIInChI=1S/C16H21NO/c1-11-6-5-7-15(13(11)3)16-9-8-14(18-16)10-12(2)17-4/h5-9,12,17H,10H2,1-4H3
InChIKeyNHVXYUOZSVNHTE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.71
Rot. Bonds4

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

1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 63084095) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID63084095
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(C)c2C)o1
InChIInChI=1S/C16H21NO/c1-11-6-5-7-15(13(11)3)16-9-8-14(18-16)10-12(2)17-4/h5-9,12,17H,10H2,1-4H3
InChIKeyNHVXYUOZSVNHTE-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
CID 63085302
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
N-methyl-1-(5-quinolin-8-ylfuran-2-yl)propan-2-amine
CID 63085974
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 107626763
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(4-iodophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55180352
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
CID 63086320

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine (CID 63084095) is 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cccc(C)c2C)o1.
What is the InChIKey of 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is NHVXYUOZSVNHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-6-5-7-15(13(11)3)16-9-8-14(18-16)10-12(2)17-4/h5-9,12,17H,10H2,1-4H3.
What are the key properties of 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 63084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).