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

C15H19NO — CID 105140596

IUPAC1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2ccco2)c1C
InChIInChI=1S/C15H19NO/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10,15H,8-9,16H2,1-2H3
InChIKeyCCQJKORHHBLCPT-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.53
Rot. Bonds4

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

1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine (PubChem CID 105140596) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
PubChem CID105140596
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
SMILESCc1cccc(C(N)CCc2ccco2)c1C
InChIInChI=1S/C15H19NO/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10,15H,8-9,16H2,1-2H3
InChIKeyCCQJKORHHBLCPT-UHFFFAOYSA-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-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
3-(furan-2-yl)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 105164227
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
3-(furan-2-yl)-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105170945
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 105029224
1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethanamine
CID 107985336
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
(3S)-3-amino-N-[2-(furan-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 71257877
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine (CID 105140596) is 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine is Cc1cccc(C(N)CCc2ccco2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
The InChIKey is CCQJKORHHBLCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-5-3-7-14(12(11)2)15(16)9-8-13-6-4-10-17-13/h3-7,10,15H,8-9,16H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine?
1-(2,3-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 1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105140596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).