N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine

C13H19FIN — CID 107320083

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
SMILESCc1cc(F)ccc1CNCCCCCI
InChIInChI=1S/C13H19FIN/c1-11-9-13(14)6-5-12(11)10-16-8-4-2-3-7-15/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyMEAXBJSYUXCMJS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.83
Rot. Bonds7

About N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine (PubChem CID 107320083) has the molecular formula C13H19FIN and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
PubChem CID107320083
Molecular FormulaC13H19FIN
Molecular Weight335.20 g/mol
Exact Mass335.05
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
SMILESCc1cc(F)ccc1CNCCCCCI
InChIInChI=1S/C13H19FIN/c1-11-9-13(14)6-5-12(11)10-16-8-4-2-3-7-15/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyMEAXBJSYUXCMJS-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.83
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'}

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320035
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
N-[(2,5-dimethylphenyl)methyl]-6-iodohexan-1-amine
CID 107844719
N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 62134218
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527765
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114349189

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine (CID 107320083) is N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine is Cc1cc(F)ccc1CNCCCCCI.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine?
The InChIKey is MEAXBJSYUXCMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FIN/c1-11-9-13(14)6-5-12(11)10-16-8-4-2-3-7-15/h5-6,9,16H,2-4,7-8,10H2,1H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine has a molecular weight of 335.20 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine is sourced from PubChem (CID 107320083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).