1-(2-iodophenyl)-N-propylheptan-1-amine

C16H26IN — CID 115833162

IUPAC1-(2-iodophenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccccc1I
InChIInChI=1S/C16H26IN/c1-3-5-6-7-12-16(18-13-4-2)14-10-8-9-11-15(14)17/h8-11,16,18H,3-7,12-13H2,1-2H3
InChIKeyPAZVYDOWOGRUBN-UHFFFAOYSA-N
MW359.30 g/mol
LogP5.30
Rot. Bonds9

About 1-(2-iodophenyl)-N-propylheptan-1-amine

1-(2-iodophenyl)-N-propylheptan-1-amine (PubChem CID 115833162) has the molecular formula C16H26IN and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-propylheptan-1-amine
PubChem CID115833162
Molecular FormulaC16H26IN
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name1-(2-iodophenyl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)c1ccccc1I
InChIInChI=1S/C16H26IN/c1-3-5-6-7-12-16(18-13-4-2)14-10-8-9-11-15(14)17/h8-11,16,18H,3-7,12-13H2,1-2H3
InChIKeyPAZVYDOWOGRUBN-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.30
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

N-ethyl-1-(2-iodophenyl)decan-1-amine
CID 115831642
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(2-fluoro-3-methylphenyl)-N-propyloctan-1-amine
CID 115832334
1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
1-(2-iodophenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105003795
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-propylheptan-1-amine?
The IUPAC name of 1-(2-iodophenyl)-N-propylheptan-1-amine (CID 115833162) is 1-(2-iodophenyl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(2-iodophenyl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(2-iodophenyl)-N-propylheptan-1-amine is CCCCCCC(NCCC)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-N-propylheptan-1-amine?
The InChIKey is PAZVYDOWOGRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN/c1-3-5-6-7-12-16(18-13-4-2)14-10-8-9-11-15(14)17/h8-11,16,18H,3-7,12-13H2,1-2H3.
What are the key properties of 1-(2-iodophenyl)-N-propylheptan-1-amine?
1-(2-iodophenyl)-N-propylheptan-1-amine has a molecular weight of 359.30 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-propylheptan-1-amine is sourced from PubChem (CID 115833162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).