N-(2-chloroprop-2-enyl)-4-ethoxyaniline

C11H14ClNO — CID 60679510

IUPACN-(2-chloroprop-2-enyl)-4-ethoxyaniline
SMILESC=C(Cl)CNc1ccc(OCC)cc1
InChIInChI=1S/C11H14ClNO/c1-3-14-11-6-4-10(5-7-11)13-8-9(2)12/h4-7,13H,2-3,8H2,1H3
InChIKeyCVTARWRFFSNXMB-UHFFFAOYSA-N
MW211.69 g/mol
LogP3.25
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-4-ethoxyaniline

N-(2-chloroprop-2-enyl)-4-ethoxyaniline (PubChem CID 60679510) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-4-ethoxyaniline.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-4-ethoxyaniline
PubChem CID60679510
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-(2-chloroprop-2-enyl)-4-ethoxyaniline
SMILESC=C(Cl)CNc1ccc(OCC)cc1
InChIInChI=1S/C11H14ClNO/c1-3-14-11-6-4-10(5-7-11)13-8-9(2)12/h4-7,13H,2-3,8H2,1H3
InChIKeyCVTARWRFFSNXMB-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
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1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(2-bromoprop-2-enyl)-4-propoxyaniline
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1-(4-ethoxyanilino)-2-methylbutan-2-ol
CID 114492504
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-but-2-ynyl-4-ethoxyaniline
CID 62312314
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CID 79167267
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
N-[(E)-4-chlorobut-2-enyl]-4-ethoxyaniline
CID 81429517

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-4-ethoxyaniline?
The IUPAC name of N-(2-chloroprop-2-enyl)-4-ethoxyaniline (CID 60679510) is N-(2-chloroprop-2-enyl)-4-ethoxyaniline.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-4-ethoxyaniline?
The canonical SMILES for N-(2-chloroprop-2-enyl)-4-ethoxyaniline is C=C(Cl)CNc1ccc(OCC)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-4-ethoxyaniline?
The InChIKey is CVTARWRFFSNXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-3-14-11-6-4-10(5-7-11)13-8-9(2)12/h4-7,13H,2-3,8H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-4-ethoxyaniline?
N-(2-chloroprop-2-enyl)-4-ethoxyaniline has a molecular weight of 211.69 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-4-ethoxyaniline is sourced from PubChem (CID 60679510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).