1-(4-iodophenyl)pentan-2-amine

C11H16IN — CID 65478921

IUPAC1-(4-iodophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(I)cc1
InChIInChI=1S/C11H16IN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3
InChIKeyMDNDWHKTASEWEJ-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-iodophenyl)pentan-2-amine

1-(4-iodophenyl)pentan-2-amine (PubChem CID 65478921) has the molecular formula C11H16IN and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(4-iodophenyl)pentan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)pentan-2-amine
PubChem CID65478921
Molecular FormulaC11H16IN
Molecular Weight289.16 g/mol
Exact Mass289.03
IUPAC Name1-(4-iodophenyl)pentan-2-amine
SMILESCCCC(N)Cc1ccc(I)cc1
InChIInChI=1S/C11H16IN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3
InChIKeyMDNDWHKTASEWEJ-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)pentan-2-amine
CID 60820343
(2S)-1-(4-bromophenyl)pentan-2-amine
CID 104932340
1-(4-iodophenyl)pentan-2-ol
CID 65476847
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489
1-(4-propylphenyl)hexan-2-amine
CID 82255234
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
2-[(4-iodophenyl)methyl]-N-methylpentan-1-amine
CID 65488914
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
2-(4-ethylphenyl)-1-(4-iodophenyl)ethanamine
CID 115802841
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
1,2-bis(4-iodophenyl)ethanamine
CID 115863933
4-(2-aminooctyl)phenol
CID 69403996

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)pentan-2-amine?
The IUPAC name of 1-(4-iodophenyl)pentan-2-amine (CID 65478921) is 1-(4-iodophenyl)pentan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)pentan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)pentan-2-amine is CCCC(N)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)pentan-2-amine?
The InChIKey is MDNDWHKTASEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4-7,11H,2-3,8,13H2,1H3.
What are the key properties of 1-(4-iodophenyl)pentan-2-amine?
1-(4-iodophenyl)pentan-2-amine has a molecular weight of 289.16 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)pentan-2-amine is sourced from PubChem (CID 65478921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).