N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine

C17H22ClNO — CID 106692244

IUPACN-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)c1ccoc1Cl
InChIInChI=1S/C17H22ClNO/c1-5-7-19-16(14-6-8-20-17(14)18)15-10-12(3)11(2)9-13(15)4/h6,8-10,16,19H,5,7H2,1-4H3
InChIKeyYUOUXZQMFFDWPO-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.95
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine

N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine (PubChem CID 106692244) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
PubChem CID106692244
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1C)c1ccoc1Cl
InChIInChI=1S/C17H22ClNO/c1-5-7-19-16(14-6-8-20-17(14)18)15-10-12(3)11(2)9-13(15)4/h6,8-10,16,19H,5,7H2,1-4H3
InChIKeyYUOUXZQMFFDWPO-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 115484143
N-[(2-chlorofuran-3-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 106684250
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
1-(2-chlorofuran-3-yl)-2-ethyl-N-propylbutan-1-amine
CID 106692647
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
N-[pyridin-4-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989997
N-[(2,5-dichlorothiophen-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 107968400
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine (CID 106692244) is N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)c(C)cc1C)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is YUOUXZQMFFDWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-5-7-19-16(14-6-8-20-17(14)18)15-10-12(3)11(2)9-13(15)4/h6,8-10,16,19H,5,7H2,1-4H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine?
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106692244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).