N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine

C16H19ClFNO — CID 81044838

IUPACN-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H19ClFNO/c1-4-7-19-16(15-6-5-11(3)20-15)12-8-10(2)14(18)9-13(12)17/h5-6,8-9,16,19H,4,7H2,1-3H3
InChIKeyRFIUASWQGKZILT-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.78
Rot. Bonds5

About N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine

N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 81044838) has the molecular formula C16H19ClFNO and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID81044838
Molecular FormulaC16H19ClFNO
Molecular Weight295.79 g/mol
Exact Mass295.11
IUPAC NameN-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)o1)c1cc(C)c(F)cc1Cl
InChIInChI=1S/C16H19ClFNO/c1-4-7-19-16(15-6-5-11(3)20-15)12-8-10(2)14(18)9-13(12)17/h5-6,8-9,16,19H,4,7H2,1-3H3
InChIKeyRFIUASWQGKZILT-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107476667
N-[(2,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43495625
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[(2-fluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81477002
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N-[(4-bromo-3-chloro-2-fluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106764829
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 81045523
1-(2-chloro-4-fluoro-5-methylphenyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 81044916
N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[1-(2-chloro-4-fluoro-5-methylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 81045921

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine (CID 81044838) is N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)o1)c1cc(C)c(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is RFIUASWQGKZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO/c1-4-7-19-16(15-6-5-11(3)20-15)12-8-10(2)14(18)9-13(12)17/h5-6,8-9,16,19H,4,7H2,1-3H3.
What are the key properties of N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 295.79 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81044838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).