2-dodecyl-4-iodoaniline

C18H30IN — CID 139793987

IUPAC2-dodecyl-4-iodoaniline
SMILESCCCCCCCCCCCCc1cc(I)ccc1N
InChIInChI=1S/C18H30IN/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h13-15H,2-12,20H2,1H3
InChIKeyWSEBTOSSRHSEAH-UHFFFAOYSA-N
MW387.35 g/mol
LogP6.34
Rot. Bonds11

About 2-dodecyl-4-iodoaniline

2-dodecyl-4-iodoaniline (PubChem CID 139793987) has the molecular formula C18H30IN and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-dodecyl-4-iodoaniline.

Molecular Properties

Compound Name2-dodecyl-4-iodoaniline
PubChem CID139793987
Molecular FormulaC18H30IN
Molecular Weight387.35 g/mol
Exact Mass387.14
IUPAC Name2-dodecyl-4-iodoaniline
SMILESCCCCCCCCCCCCc1cc(I)ccc1N
InChIInChI=1S/C18H30IN/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h13-15H,2-12,20H2,1H3
InChIKeyWSEBTOSSRHSEAH-UHFFFAOYSA-N
XLogP6.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-heptylaniline
CID 67191637
4-[[4-[12-[4-[(4-amino-3-pentylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-pentylaniline
CID 22919570
4-[[4-[11-[4-[(4-amino-3-heptylphenyl)methyl]phenyl]undecyl]phenyl]methyl]-2-heptylaniline
CID 22921098
4-[[4-[8-[4-[(4-amino-3-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-2-octylaniline
CID 22920280
4-[[4-[7-[4-[(4-amino-3-hexylphenyl)methyl]phenyl]heptyl]phenyl]methyl]-2-hexylaniline
CID 22921018
4-(4-aminophenyl)-2-pentylaniline
CID 66665137
4-iodo-2-pentylbenzenesulfonamide
CID 22908610
2-tetradecylaniline
CID 22218918
1-iodo-4-octadecylbenzene
CID 141122271
2-(2,2-dimethylpropyl)-4-iodoaniline
CID 175640308
3-hexyl-4-iodoaniline
CID 139793962
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-4-iodoaniline?
The IUPAC name of 2-dodecyl-4-iodoaniline (CID 139793987) is 2-dodecyl-4-iodoaniline.
What is the SMILES notation for 2-dodecyl-4-iodoaniline?
The canonical SMILES for 2-dodecyl-4-iodoaniline is CCCCCCCCCCCCc1cc(I)ccc1N.
What is the InChIKey of 2-dodecyl-4-iodoaniline?
The InChIKey is WSEBTOSSRHSEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30IN/c1-2-3-4-5-6-7-8-9-10-11-12-16-15-17(19)13-14-18(16)20/h13-15H,2-12,20H2,1H3.
What are the key properties of 2-dodecyl-4-iodoaniline?
2-dodecyl-4-iodoaniline has a molecular weight of 387.35 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-4-iodoaniline is sourced from PubChem (CID 139793987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).