N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine

C12H16ClFIN — CID 107320165

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine
SMILESFc1c(Cl)cccc1CNCCCCCI
InChIInChI=1S/C12H16ClFIN/c13-11-6-4-5-10(12(11)14)9-16-8-3-1-2-7-15/h4-6,16H,1-3,7-9H2
InChIKeyCLKPOYXFCODIOV-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.17
Rot. Bonds7

About N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine

N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine (PubChem CID 107320165) has the molecular formula C12H16ClFIN and a molecular weight of 355.62 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine
PubChem CID107320165
Molecular FormulaC12H16ClFIN
Molecular Weight355.62 g/mol
Exact Mass355.00
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine
SMILESFc1c(Cl)cccc1CNCCCCCI
InChIInChI=1S/C12H16ClFIN/c13-11-6-4-5-10(12(11)14)9-16-8-3-1-2-7-15/h4-6,16H,1-3,7-9H2
InChIKeyCLKPOYXFCODIOV-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 106844787
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
2-[3-[(3-chloro-2-fluorophenyl)methylamino]propoxy]ethanol
CID 103992603
3-[(3-chloro-2-fluorophenyl)methylamino]propanenitrile
CID 114487253
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
6-chloro-N-[(2-chloro-3-fluorophenyl)methyl]hexan-1-amine
CID 107845726
N-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 114487249
N-[(3-chloro-2-fluorophenyl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 115695900
N-[(3-chloro-2-fluorophenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103761972
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine (CID 107320165) is N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine is Fc1c(Cl)cccc1CNCCCCCI.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine?
The InChIKey is CLKPOYXFCODIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFIN/c13-11-6-4-5-10(12(11)14)9-16-8-3-1-2-7-15/h4-6,16H,1-3,7-9H2.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine?
N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine has a molecular weight of 355.62 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-5-iodopentan-1-amine is sourced from PubChem (CID 107320165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).