N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

C15H17Cl2NO — CID 104790416

IUPACN-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyTUZLUMGSVPSXEQ-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.98
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 104790416) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID104790416
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC NameN-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1C)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyTUZLUMGSVPSXEQ-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63502105
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
1-(2,3-dichlorophenyl)-N,2-dipropylpentan-1-amine
CID 115851225
N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494394
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (CID 104790416) is N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1C)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is TUZLUMGSVPSXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-3-8-18-15(11-7-9-19-10(11)2)12-5-4-6-13(16)14(12)17/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 298.21 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104790416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).