N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine

C15H18INO — CID 114030122

IUPACN-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(C)c1I
InChIInChI=1S/C15H18INO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyUJFFETWUIDHYKS-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.28
Rot. Bonds5

About N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine

N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine (PubChem CID 114030122) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
PubChem CID114030122
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC NameN-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(C)c1I
InChIInChI=1S/C15H18INO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyUJFFETWUIDHYKS-UHFFFAOYSA-N
XLogP4.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 114024207
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 82808232
N-[(2-fluoro-3-methylphenyl)-phenylmethyl]propan-1-amine
CID 81477000
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(3-ethoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63947558
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[(2-tert-butylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855553

Frequently Asked Questions

What is the IUPAC name of N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine (CID 114030122) is N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cccc(C)c1I.
What is the InChIKey of N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is UJFFETWUIDHYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-3-8-17-15(12-7-9-18-10-12)13-6-4-5-11(2)14(13)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine?
N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 355.22 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114030122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).