N-(2-butoxyethyl)-3-chloro-2-methylaniline

C13H20ClNO — CID 61482959

IUPACN-(2-butoxyethyl)-3-chloro-2-methylaniline
SMILESCCCCOCCNc1cccc(Cl)c1C
InChIInChI=1S/C13H20ClNO/c1-3-4-9-16-10-8-15-13-7-5-6-12(14)11(13)2/h5-7,15H,3-4,8-10H2,1-2H3
InChIKeyZGLWGKAXMDUQPH-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.88
Rot. Bonds7

About N-(2-butoxyethyl)-3-chloro-2-methylaniline

N-(2-butoxyethyl)-3-chloro-2-methylaniline (PubChem CID 61482959) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-chloro-2-methylaniline.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-chloro-2-methylaniline
PubChem CID61482959
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-(2-butoxyethyl)-3-chloro-2-methylaniline
SMILESCCCCOCCNc1cccc(Cl)c1C
InChIInChI=1S/C13H20ClNO/c1-3-4-9-16-10-8-15-13-7-5-6-12(14)11(13)2/h5-7,15H,3-4,8-10H2,1-2H3
InChIKeyZGLWGKAXMDUQPH-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62583761
3-chloro-2-methyl-N-octylaniline
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3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
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3-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 54797152
butyl 2-(3-chloro-2-methylanilino)acetate
CID 54917755
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
2-(3-chloro-2-methylanilino)ethyl hydrogen sulfate
CID 88761525
N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
3-chloro-N-(3-ethylsulfonylpropyl)-2-methylaniline
CID 65094138
N'-(3-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)ethane-1,2-diamine
CID 54805427

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-chloro-2-methylaniline?
The IUPAC name of N-(2-butoxyethyl)-3-chloro-2-methylaniline (CID 61482959) is N-(2-butoxyethyl)-3-chloro-2-methylaniline.
What is the SMILES notation for N-(2-butoxyethyl)-3-chloro-2-methylaniline?
The canonical SMILES for N-(2-butoxyethyl)-3-chloro-2-methylaniline is CCCCOCCNc1cccc(Cl)c1C.
What is the InChIKey of N-(2-butoxyethyl)-3-chloro-2-methylaniline?
The InChIKey is ZGLWGKAXMDUQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-3-4-9-16-10-8-15-13-7-5-6-12(14)11(13)2/h5-7,15H,3-4,8-10H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-3-chloro-2-methylaniline?
N-(2-butoxyethyl)-3-chloro-2-methylaniline has a molecular weight of 241.76 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-chloro-2-methylaniline is sourced from PubChem (CID 61482959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).