N-(2-iodoethyl)-N,3-dimethylaniline

C10H14IN — CID 130693336

IUPACN-(2-iodoethyl)-N,3-dimethylaniline
SMILESCc1cccc(N(C)CCI)c1
InChIInChI=1S/C10H14IN/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,6-7H2,1-2H3
InChIKeyLYYKCYAPIAZJLD-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.87
Rot. Bonds3

About N-(2-iodoethyl)-N,3-dimethylaniline

N-(2-iodoethyl)-N,3-dimethylaniline (PubChem CID 130693336) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is N-(2-iodoethyl)-N,3-dimethylaniline.

Molecular Properties

Compound NameN-(2-iodoethyl)-N,3-dimethylaniline
PubChem CID130693336
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC NameN-(2-iodoethyl)-N,3-dimethylaniline
SMILESCc1cccc(N(C)CCI)c1
InChIInChI=1S/C10H14IN/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,6-7H2,1-2H3
InChIKeyLYYKCYAPIAZJLD-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N,N'-dimethyl-N'-(3-methylphenyl)methanediamine
CID 115226747
N'-methyl-N'-(3-methylphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 62555206
2-amino-4-(N,3-dimethylanilino)butanenitrile
CID 63027364
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
CID 138691650
CID 138691650
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N-[2-(4-bromophenoxy)ethyl]-N,3-dimethylaniline
CID 63458172
N-[3-[ethoxy(dimethyl)silyl]propyl]-N,3-dimethylaniline
CID 174067279
1-N,4-N-dimethyl-1-N-(3-methylphenyl)hexane-1,4-diamine
CID 106799690
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547
N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62556023

Frequently Asked Questions

What is the IUPAC name of N-(2-iodoethyl)-N,3-dimethylaniline?
The IUPAC name of N-(2-iodoethyl)-N,3-dimethylaniline (CID 130693336) is N-(2-iodoethyl)-N,3-dimethylaniline.
What is the SMILES notation for N-(2-iodoethyl)-N,3-dimethylaniline?
The canonical SMILES for N-(2-iodoethyl)-N,3-dimethylaniline is Cc1cccc(N(C)CCI)c1.
What is the InChIKey of N-(2-iodoethyl)-N,3-dimethylaniline?
The InChIKey is LYYKCYAPIAZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-(2-iodoethyl)-N,3-dimethylaniline?
N-(2-iodoethyl)-N,3-dimethylaniline has a molecular weight of 275.13 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodoethyl)-N,3-dimethylaniline is sourced from PubChem (CID 130693336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).