1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine

C16H21NO — CID 83174739

IUPAC1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccoc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H21NO/c1-12-4-5-14(8-13(12)2)9-16(17-3)10-15-6-7-18-11-15/h4-8,11,16-17H,9-10H2,1-3H3
InChIKeyNSVATHMVCXLNFE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.27
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine

1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine (PubChem CID 83174739) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
PubChem CID83174739
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccoc1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H21NO/c1-12-4-5-14(8-13(12)2)9-16(17-3)10-15-6-7-18-11-15/h4-8,11,16-17H,9-10H2,1-3H3
InChIKeyNSVATHMVCXLNFE-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83176008
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
(2R)-2-amino-3-(furan-3-yl)propan-1-ol;(2R)-3-(furan-3-yl)-2-(methylamino)propan-1-ol
CID 157489352
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(3,4-dimethylphenyl)-N,4-dimethylpent-4-en-2-amine
CID 79185315
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393
1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine (CID 83174739) is 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine is CNC(Cc1ccoc1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The InChIKey is NSVATHMVCXLNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-4-5-14(8-13(12)2)9-16(17-3)10-15-6-7-18-11-15/h4-8,11,16-17H,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 83174739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).