(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine

C15H19NO — CID 40511217

IUPAC(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCc1ccc([C@@H](N)CCc2ccco2)cc1C
InChIInChI=1S/C15H19NO/c1-11-5-6-13(10-12(11)2)15(16)8-7-14-4-3-9-17-14/h3-6,9-10,15H,7-8,16H2,1-2H3/t15-/m0/s1
InChIKeyBTMXXVKVRHJSKU-HNNXBMFYSA-N
MW229.32 g/mol
LogP3.53
Rot. Bonds4

About (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine

(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 40511217) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID40511217
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCc1ccc([C@@H](N)CCc2ccco2)cc1C
InChIInChI=1S/C15H19NO/c1-11-5-6-13(10-12(11)2)15(16)8-7-14-4-3-9-17-14/h3-6,9-10,15H,7-8,16H2,1-2H3/t15-/m0/s1
InChIKeyBTMXXVKVRHJSKU-HNNXBMFYSA-N
XLogP3.53
TPSA39.16 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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dimethylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105300181
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172248
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
3-(furan-2-yl)-1-(3-propylphenyl)propan-1-amine
CID 105187906
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094003
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006
1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
3-(furan-2-yl)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 105164227
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine (CID 40511217) is (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine is Cc1ccc([C@@H](N)CCc2ccco2)cc1C.
What is the InChIKey of (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is BTMXXVKVRHJSKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-5-6-13(10-12(11)2)15(16)8-7-14-4-3-9-17-14/h3-6,9-10,15H,7-8,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 40511217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).