N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine

C17H19FINO — CID 43497130

IUPACN-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19FINO/c1-3-9-20-17(12-5-4-6-14(19)10-12)15-11-13(18)7-8-16(15)21-2/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyJXMPEAXQAPLAJM-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.53
Rot. Bonds6

About N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine

N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine (PubChem CID 43497130) has the molecular formula C17H19FINO and a molecular weight of 399.25 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
PubChem CID43497130
Molecular FormulaC17H19FINO
Molecular Weight399.25 g/mol
Exact Mass399.05
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1cc(F)ccc1OC
InChIInChI=1S/C17H19FINO/c1-3-9-20-17(12-5-4-6-14(19)10-12)15-11-13(18)7-8-16(15)21-2/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyJXMPEAXQAPLAJM-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.53
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-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(2-fluoro-3-methoxyphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 105025146
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115859755
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(4-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 82770851
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine (CID 43497130) is N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)c1cc(F)ccc1OC.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The InChIKey is JXMPEAXQAPLAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FINO/c1-3-9-20-17(12-5-4-6-14(19)10-12)15-11-13(18)7-8-16(15)21-2/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine?
N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine has a molecular weight of 399.25 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).