N-(2-chloroethyl)-5-ethyl-2-methoxyaniline

C11H16ClNO — CID 115214591

IUPACN-(2-chloroethyl)-5-ethyl-2-methoxyaniline
SMILESCCc1ccc(OC)c(NCCCl)c1
InChIInChI=1S/C11H16ClNO/c1-3-9-4-5-11(14-2)10(8-9)13-7-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyADXDZSBGPPJXRI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.91
Rot. Bonds5

About N-(2-chloroethyl)-5-ethyl-2-methoxyaniline

N-(2-chloroethyl)-5-ethyl-2-methoxyaniline (PubChem CID 115214591) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-5-ethyl-2-methoxyaniline.

Molecular Properties

Compound NameN-(2-chloroethyl)-5-ethyl-2-methoxyaniline
PubChem CID115214591
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-(2-chloroethyl)-5-ethyl-2-methoxyaniline
SMILESCCc1ccc(OC)c(NCCCl)c1
InChIInChI=1S/C11H16ClNO/c1-3-9-4-5-11(14-2)10(8-9)13-7-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyADXDZSBGPPJXRI-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.91
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

5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
5-(5-ethyl-2-methoxyanilino)pentanoic acid
CID 115218873
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
4-bromo-N-(2-chloroethyl)-2-methoxyaniline
CID 121473214
2,5-dichloro-N-(2-chloroethyl)-4-methoxyaniline
CID 115214609

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-5-ethyl-2-methoxyaniline?
The IUPAC name of N-(2-chloroethyl)-5-ethyl-2-methoxyaniline (CID 115214591) is N-(2-chloroethyl)-5-ethyl-2-methoxyaniline.
What is the SMILES notation for N-(2-chloroethyl)-5-ethyl-2-methoxyaniline?
The canonical SMILES for N-(2-chloroethyl)-5-ethyl-2-methoxyaniline is CCc1ccc(OC)c(NCCCl)c1.
What is the InChIKey of N-(2-chloroethyl)-5-ethyl-2-methoxyaniline?
The InChIKey is ADXDZSBGPPJXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-9-4-5-11(14-2)10(8-9)13-7-6-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-5-ethyl-2-methoxyaniline?
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline has a molecular weight of 213.71 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-5-ethyl-2-methoxyaniline is sourced from PubChem (CID 115214591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).