N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline

C12H16ClNO2 — CID 167880606

IUPACN-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
SMILESC=C(Cl)CNc1cccc(OCCOC)c1
InChIInChI=1S/C12H16ClNO2/c1-10(13)9-14-11-4-3-5-12(8-11)16-7-6-15-2/h3-5,8,14H,1,6-7,9H2,2H3
InChIKeyUQFPPYHHUGOMJB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.88
Rot. Bonds7

About N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline

N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline (PubChem CID 167880606) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
PubChem CID167880606
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
SMILESC=C(Cl)CNc1cccc(OCCOC)c1
InChIInChI=1S/C12H16ClNO2/c1-10(13)9-14-11-4-3-5-12(8-11)16-7-6-15-2/h3-5,8,14H,1,6-7,9H2,2H3
InChIKeyUQFPPYHHUGOMJB-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-(2-chloroprop-2-enyl)-3-methylaniline
CID 60679551
N-hexyl-3-(2-methoxyethoxy)aniline
CID 54803081
2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol
CID 167980774

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline (CID 167880606) is N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline is C=C(Cl)CNc1cccc(OCCOC)c1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline?
The InChIKey is UQFPPYHHUGOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-10(13)9-14-11-4-3-5-12(8-11)16-7-6-15-2/h3-5,8,14H,1,6-7,9H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline?
N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline has a molecular weight of 241.72 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 167880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).