N-butyl-4-(4-iodophenoxy)butan-1-amine

C14H22INO — CID 2247309

IUPACN-butyl-4-(4-iodophenoxy)butan-1-amine
SMILESCCCCNCCCCOc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeyAOEKQLJMBDRWAU-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.84
Rot. Bonds9

About N-butyl-4-(4-iodophenoxy)butan-1-amine

N-butyl-4-(4-iodophenoxy)butan-1-amine (PubChem CID 2247309) has the molecular formula C14H22INO and a molecular weight of 347.24 g/mol. Its IUPAC name is N-butyl-4-(4-iodophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-butyl-4-(4-iodophenoxy)butan-1-amine
PubChem CID2247309
Molecular FormulaC14H22INO
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC NameN-butyl-4-(4-iodophenoxy)butan-1-amine
SMILESCCCCNCCCCOc1ccc(I)cc1
InChIInChI=1S/C14H22INO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3
InChIKeyAOEKQLJMBDRWAU-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
4-[4-(butylamino)butoxy]phenol
CID 54220189
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
5-(4-methoxyphenoxy)-N-propylpentan-1-amine
CID 55077240
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
5-(4-chlorophenoxy)-N-propylpentan-1-amine
CID 62454599
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
1,4-dipentoxybenzene
CID 18314717
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-iodophenoxy)butan-1-amine?
The IUPAC name of N-butyl-4-(4-iodophenoxy)butan-1-amine (CID 2247309) is N-butyl-4-(4-iodophenoxy)butan-1-amine.
What is the SMILES notation for N-butyl-4-(4-iodophenoxy)butan-1-amine?
The canonical SMILES for N-butyl-4-(4-iodophenoxy)butan-1-amine is CCCCNCCCCOc1ccc(I)cc1.
What is the InChIKey of N-butyl-4-(4-iodophenoxy)butan-1-amine?
The InChIKey is AOEKQLJMBDRWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22INO/c1-2-3-10-16-11-4-5-12-17-14-8-6-13(15)7-9-14/h6-9,16H,2-5,10-12H2,1H3.
What are the key properties of N-butyl-4-(4-iodophenoxy)butan-1-amine?
N-butyl-4-(4-iodophenoxy)butan-1-amine has a molecular weight of 347.24 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-iodophenoxy)butan-1-amine is sourced from PubChem (CID 2247309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).