1-(4-iodophenyl)heptan-1-amine

C13H20IN — CID 115833109

IUPAC1-(4-iodophenyl)heptan-1-amine
SMILESCCCCCCC(N)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13H,2-6,15H2,1H3
InChIKeyBEKBDCKIEGILOT-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.26
Rot. Bonds6

About 1-(4-iodophenyl)heptan-1-amine

1-(4-iodophenyl)heptan-1-amine (PubChem CID 115833109) has the molecular formula C13H20IN and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-(4-iodophenyl)heptan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)heptan-1-amine
PubChem CID115833109
Molecular FormulaC13H20IN
Molecular Weight317.21 g/mol
Exact Mass317.06
IUPAC Name1-(4-iodophenyl)heptan-1-amine
SMILESCCCCCCC(N)c1ccc(I)cc1
InChIInChI=1S/C13H20IN/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13H,2-6,15H2,1H3
InChIKeyBEKBDCKIEGILOT-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.26
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

4-(1-aminooctyl)aniline
CID 137458153
1-(4-ethylphenyl)decan-1-amine
CID 63412475
4-(1-aminododecyl)phenol
CID 174770403
1-phenyldecan-1-amine
CID 43175860
1-(4-tert-butylphenyl)heptan-1-amine
CID 114752279
1-(4-tert-butylphenyl)decan-1-amine
CID 65449130
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
4-(1-aminododecyl)-N,N-dimethylaniline
CID 154320367
1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)octan-1-amine
CID 103214882

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)heptan-1-amine?
The IUPAC name of 1-(4-iodophenyl)heptan-1-amine (CID 115833109) is 1-(4-iodophenyl)heptan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)heptan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)heptan-1-amine is CCCCCCC(N)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)heptan-1-amine?
The InChIKey is BEKBDCKIEGILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,13H,2-6,15H2,1H3.
What are the key properties of 1-(4-iodophenyl)heptan-1-amine?
1-(4-iodophenyl)heptan-1-amine has a molecular weight of 317.21 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)heptan-1-amine is sourced from PubChem (CID 115833109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).