N-ethyl-1-(4-iodophenyl)heptan-2-amine

C15H24IN — CID 115864019

IUPACN-ethyl-1-(4-iodophenyl)heptan-2-amine
SMILESCCCCCC(Cc1ccc(I)cc1)NCC
InChIInChI=1S/C15H24IN/c1-3-5-6-7-15(17-4-2)12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3
InChIKeyQOPFWHGADIAXIE-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.39
Rot. Bonds8

About N-ethyl-1-(4-iodophenyl)heptan-2-amine

N-ethyl-1-(4-iodophenyl)heptan-2-amine (PubChem CID 115864019) has the molecular formula C15H24IN and a molecular weight of 345.27 g/mol. Its IUPAC name is N-ethyl-1-(4-iodophenyl)heptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-iodophenyl)heptan-2-amine
PubChem CID115864019
Molecular FormulaC15H24IN
Molecular Weight345.27 g/mol
Exact Mass345.10
IUPAC NameN-ethyl-1-(4-iodophenyl)heptan-2-amine
SMILESCCCCCC(Cc1ccc(I)cc1)NCC
InChIInChI=1S/C15H24IN/c1-3-5-6-7-15(17-4-2)12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3
InChIKeyQOPFWHGADIAXIE-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.39
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-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-ethyl-1-(4-iodophenyl)-3-propan-2-yloxypropan-2-amine
CID 105152021

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-iodophenyl)heptan-2-amine?
The IUPAC name of N-ethyl-1-(4-iodophenyl)heptan-2-amine (CID 115864019) is N-ethyl-1-(4-iodophenyl)heptan-2-amine.
What is the SMILES notation for N-ethyl-1-(4-iodophenyl)heptan-2-amine?
The canonical SMILES for N-ethyl-1-(4-iodophenyl)heptan-2-amine is CCCCCC(Cc1ccc(I)cc1)NCC.
What is the InChIKey of N-ethyl-1-(4-iodophenyl)heptan-2-amine?
The InChIKey is QOPFWHGADIAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN/c1-3-5-6-7-15(17-4-2)12-13-8-10-14(16)11-9-13/h8-11,15,17H,3-7,12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-iodophenyl)heptan-2-amine?
N-ethyl-1-(4-iodophenyl)heptan-2-amine has a molecular weight of 345.27 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-iodophenyl)heptan-2-amine is sourced from PubChem (CID 115864019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).