1-(4-iodophenyl)-N-methylnonan-2-amine

C16H26IN — CID 115864388

IUPAC1-(4-iodophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(I)cc1)NC
InChIInChI=1S/C16H26IN/c1-3-4-5-6-7-8-16(18-2)13-14-9-11-15(17)12-10-14/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeyFBXFMJFJTUZZIT-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.78
Rot. Bonds9

About 1-(4-iodophenyl)-N-methylnonan-2-amine

1-(4-iodophenyl)-N-methylnonan-2-amine (PubChem CID 115864388) has the molecular formula C16H26IN and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methylnonan-2-amine
PubChem CID115864388
Molecular FormulaC16H26IN
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC Name1-(4-iodophenyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(I)cc1)NC
InChIInChI=1S/C16H26IN/c1-3-4-5-6-7-8-16(18-2)13-14-9-11-15(17)12-10-14/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeyFBXFMJFJTUZZIT-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.78
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-methylhexan-2-amine
CID 79405235
1-(4-iodophenyl)-N-propyldecan-2-amine
CID 115864004
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methylnonan-2-amine (CID 115864388) is 1-(4-iodophenyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1ccc(I)cc1)NC.
What is the InChIKey of 1-(4-iodophenyl)-N-methylnonan-2-amine?
The InChIKey is FBXFMJFJTUZZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN/c1-3-4-5-6-7-8-16(18-2)13-14-9-11-15(17)12-10-14/h9-12,16,18H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-methylnonan-2-amine?
1-(4-iodophenyl)-N-methylnonan-2-amine has a molecular weight of 359.30 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methylnonan-2-amine is sourced from PubChem (CID 115864388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).