N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline

C11H16ClNO — CID 115214635

IUPACN-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
SMILESCOc1cc(C)cc(C)c1NCCCl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(2)11(13-5-4-12)10(7-8)14-3/h6-7,13H,4-5H2,1-3H3
InChIKeySUFGYRZKJRQIIV-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.96
Rot. Bonds4

About N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline

N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline (PubChem CID 115214635) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
PubChem CID115214635
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
SMILESCOc1cc(C)cc(C)c1NCCCl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(2)11(13-5-4-12)10(7-8)14-3/h6-7,13H,4-5H2,1-3H3
InChIKeySUFGYRZKJRQIIV-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
2-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115241999
(E)-4-(2-methoxy-4,6-dimethylanilino)but-2-enoic acid
CID 115236912
3-hydroxy-4-(2-methoxy-4,6-dimethylanilino)butanoic acid
CID 115122881
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609
2-methoxy-4-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50876761
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
CID 115128687
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline?
The IUPAC name of N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline (CID 115214635) is N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline.
What is the SMILES notation for N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline?
The canonical SMILES for N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline is COc1cc(C)cc(C)c1NCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline?
The InChIKey is SUFGYRZKJRQIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-6-9(2)11(13-5-4-12)10(7-8)14-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline?
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline has a molecular weight of 213.71 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline is sourced from PubChem (CID 115214635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).