N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine

C11H15FIN — CID 106844450

IUPACN-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
SMILESFc1ccc(CNCCCCI)cc1
InChIInChI=1S/C11H15FIN/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9H2
InChIKeyCRCSQGDZSIZENJ-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.13
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine

N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine (PubChem CID 106844450) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
PubChem CID106844450
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC NameN-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
SMILESFc1ccc(CNCCCCI)cc1
InChIInChI=1S/C11H15FIN/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9H2
InChIKeyCRCSQGDZSIZENJ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.13
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'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
5-iodo-N-[(4-iodophenyl)methyl]pentan-1-amine
CID 107319983
6-iodo-N-[(4-methylphenyl)methyl]hexan-1-amine
CID 107844979
N'-[(4-fluorophenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720014
3-[(4-fluorophenyl)methylamino]propane-1-sulfonic acid
CID 11673206
4-iodo-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 106844555
5-iodo-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 107319994
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596
N-[(2-bromo-4-fluorophenyl)methyl]-5-iodopentan-1-amine
CID 107320035
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
5-[(4-fluorophenyl)methylamino]pentan-2-ol
CID 107267828
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 131938810

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine (CID 106844450) is N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine is Fc1ccc(CNCCCCI)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine?
The InChIKey is CRCSQGDZSIZENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c12-11-5-3-10(4-6-11)9-14-8-2-1-7-13/h3-6,14H,1-2,7-9H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine?
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine has a molecular weight of 307.15 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine is sourced from PubChem (CID 106844450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).