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

C17H23NO — CID 105140242

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO/c1-4-18-17(10-9-16-6-5-11-19-16)15-8-7-13(2)14(3)12-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyJCHVASCTYMDZLP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.18
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (PubChem CID 105140242) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
PubChem CID105140242
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
SMILESCCNC(CCc1ccco1)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO/c1-4-18-17(10-9-16-6-5-11-19-16)15-8-7-13(2)14(3)12-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3
InChIKeyJCHVASCTYMDZLP-UHFFFAOYSA-N
XLogP4.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.18
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
1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-ethyl-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105087868
(1S)-1-(3,4-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 40511217
N-ethyl-3-(furan-2-yl)-1-quinolin-7-ylpropan-1-amine
CID 105172573
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
1-(3,5-dimethylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105097322
1-(2,3-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140541
N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
N-ethyl-1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105119317
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine (CID 105140242) is 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is CCNC(CCc1ccco1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
The InChIKey is JCHVASCTYMDZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-18-17(10-9-16-6-5-11-19-16)15-8-7-13(2)14(3)12-15/h5-8,11-12,17-18H,4,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine?
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105140242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).