1-(3-chloro-4-iodophenyl)octan-1-amine

C14H21ClIN — CID 103214882

IUPAC1-(3-chloro-4-iodophenyl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H21ClIN/c1-2-3-4-5-6-7-14(17)11-8-9-13(16)12(15)10-11/h8-10,14H,2-7,17H2,1H3
InChIKeyNDQWNQGPRREDMD-UHFFFAOYSA-N
MW365.69 g/mol
LogP5.30
Rot. Bonds7

About 1-(3-chloro-4-iodophenyl)octan-1-amine

1-(3-chloro-4-iodophenyl)octan-1-amine (PubChem CID 103214882) has the molecular formula C14H21ClIN and a molecular weight of 365.69 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)octan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)octan-1-amine
PubChem CID103214882
Molecular FormulaC14H21ClIN
Molecular Weight365.69 g/mol
Exact Mass365.04
IUPAC Name1-(3-chloro-4-iodophenyl)octan-1-amine
SMILESCCCCCCCC(N)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H21ClIN/c1-2-3-4-5-6-7-14(17)11-8-9-13(16)12(15)10-11/h8-10,14H,2-7,17H2,1H3
InChIKeyNDQWNQGPRREDMD-UHFFFAOYSA-N
XLogP5.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
CID 103214904
1-(4-iodophenyl)heptan-1-amine
CID 115833109
1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954
(1S)-1-(3-chloro-4-iodophenyl)-2-fluoroethanamine
CID 130942031
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970
1-(3-chloro-4-iodophenyl)pent-4-en-1-amine
CID 103215445
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)octan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)octan-1-amine (CID 103214882) is 1-(3-chloro-4-iodophenyl)octan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)octan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)octan-1-amine is CCCCCCCC(N)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)octan-1-amine?
The InChIKey is NDQWNQGPRREDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClIN/c1-2-3-4-5-6-7-14(17)11-8-9-13(16)12(15)10-11/h8-10,14H,2-7,17H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)octan-1-amine?
1-(3-chloro-4-iodophenyl)octan-1-amine has a molecular weight of 365.69 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)octan-1-amine is sourced from PubChem (CID 103214882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).