N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine

C16H20ClNO — CID 106684288

IUPACN-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1cc(C)ccc1C
InChIInChI=1S/C16H20ClNO/c1-4-9-18-16(14-7-8-15(17)19-14)13-10-11(2)5-6-12(13)3/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyTZJKHVBVVGJLFU-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.64
Rot. Bonds5

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

N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 106684288) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID106684288
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1cc(C)ccc1C
InChIInChI=1S/C16H20ClNO/c1-4-9-18-16(14-7-8-15(17)19-14)13-10-11(2)5-6-12(13)3/h5-8,10,16,18H,4,9H2,1-3H3
InChIKeyTZJKHVBVVGJLFU-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(5-chlorofuran-2-yl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 106684341
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(2-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 106861060
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(3-chloro-4-iodophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 103214844
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 106684326
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine (CID 106684288) is N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1cc(C)ccc1C.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is TZJKHVBVVGJLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-4-9-18-16(14-7-8-15(17)19-14)13-10-11(2)5-6-12(13)3/h5-8,10,16,18H,4,9H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106684288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).