N-[1-(4-iodophenyl)ethyl]hexan-1-amine

C14H22IN — CID 43769665

IUPACN-[1-(4-iodophenyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-3-4-5-6-11-16-12(2)13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3
InChIKeyUSFVQKBJXTWZHU-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(4-iodophenyl)ethyl]hexan-1-amine

N-[1-(4-iodophenyl)ethyl]hexan-1-amine (PubChem CID 43769665) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]hexan-1-amine
PubChem CID43769665
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC NameN-[1-(4-iodophenyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)c1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-3-4-5-6-11-16-12(2)13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3
InChIKeyUSFVQKBJXTWZHU-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.52
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

N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[1-(4-ethenylphenyl)ethyl]octadecan-1-amine
CID 20554605
N-[1-(4-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43102192
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]hexan-1-amine?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]hexan-1-amine (CID 43769665) is N-[1-(4-iodophenyl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]hexan-1-amine is CCCCCCNC(C)c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]hexan-1-amine?
The InChIKey is USFVQKBJXTWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-3-4-5-6-11-16-12(2)13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]hexan-1-amine?
N-[1-(4-iodophenyl)ethyl]hexan-1-amine has a molecular weight of 331.24 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]hexan-1-amine is sourced from PubChem (CID 43769665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).