3-iodo-2-propylaniline

C9H12IN — CID 170306799

IUPAC3-iodo-2-propylaniline
SMILESCCCc1c(N)cccc1I
InChIInChI=1S/C9H12IN/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6H,2,4,11H2,1H3
InChIKeyLTQFAJUDOGMWFP-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.83
Rot. Bonds2

About 3-iodo-2-propylaniline

3-iodo-2-propylaniline (PubChem CID 170306799) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is 3-iodo-2-propylaniline.

Molecular Properties

Compound Name3-iodo-2-propylaniline
PubChem CID170306799
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name3-iodo-2-propylaniline
SMILESCCCc1c(N)cccc1I
InChIInChI=1S/C9H12IN/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6H,2,4,11H2,1H3
InChIKeyLTQFAJUDOGMWFP-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-propylaniline
CID 70555018
3-nitro-2-propylaniline
CID 70010026
2-decylbenzene-1,3-diamine
CID 141061522
2-(2,3-dipropylphenyl)aniline
CID 150874866
3-(oxan-4-yl)-2-propylaniline
CID 156732824
2-butyl-3-chloroaniline
CID 14012386
3-amino-2-decylphenol
CID 70595254
3-amino-2-ethylbenzaldehyde
CID 22259616
2-(aminomethyl)benzene-1,3-diamine
CID 18451650
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
2-bromo-3-iodoaniline
CID 91873763
1,3-diiodo-2-(2-methylpropyl)benzene
CID 59615643

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-propylaniline?
The IUPAC name of 3-iodo-2-propylaniline (CID 170306799) is 3-iodo-2-propylaniline.
What is the SMILES notation for 3-iodo-2-propylaniline?
The canonical SMILES for 3-iodo-2-propylaniline is CCCc1c(N)cccc1I.
What is the InChIKey of 3-iodo-2-propylaniline?
The InChIKey is LTQFAJUDOGMWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN/c1-2-4-7-8(10)5-3-6-9(7)11/h3,5-6H,2,4,11H2,1H3.
What are the key properties of 3-iodo-2-propylaniline?
3-iodo-2-propylaniline has a molecular weight of 261.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-propylaniline is sourced from PubChem (CID 170306799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).