3-chloro-N,N-bis(2-ethenoxyethyl)aniline

C14H18ClNO2 — CID 22336314

IUPAC3-chloro-N,N-bis(2-ethenoxyethyl)aniline
SMILESC=COCCN(CCOC=C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-3-17-10-8-16(9-11-18-4-2)14-7-5-6-13(15)12-14/h3-7,12H,1-2,8-11H2
InChIKeyQOCCRQDBVBFTTQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.47
Rot. Bonds9

About 3-chloro-N,N-bis(2-ethenoxyethyl)aniline

3-chloro-N,N-bis(2-ethenoxyethyl)aniline (PubChem CID 22336314) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-N,N-bis(2-ethenoxyethyl)aniline.

Molecular Properties

Compound Name3-chloro-N,N-bis(2-ethenoxyethyl)aniline
PubChem CID22336314
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N,N-bis(2-ethenoxyethyl)aniline
SMILESC=COCCN(CCOC=C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO2/c1-3-17-10-8-16(9-11-18-4-2)14-7-5-6-13(15)12-14/h3-7,12H,1-2,8-11H2
InChIKeyQOCCRQDBVBFTTQ-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N,N-bis(2-phenylethyl)aniline
CID 3851845
N-butyl-3-chloro-N-(2-phenylmethoxyethyl)aniline
CID 54564571
3-chloro-N,N-bis(prop-2-ynyl)aniline
CID 5001996
3-methyl-N,N-bis(2-prop-2-enoxyethyl)aniline
CID 139697285
2-[3-chloro-N-(4-methoxybutyl)anilino]acetic acid
CID 104648423
2-(3-chloro-N-ethylanilino)ethyl (3-chlorophenyl) carbonate
CID 54060935
1-(3-chlorophenyl)-1-fluorohydrazine
CID 53401109
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
3-bromo-N,N-bis(2-methoxyethyl)aniline
CID 146003902
3-chloro-N-(3-chlorophenyl)-N-[(E)-(4-ethenylphenyl)methylideneamino]aniline
CID 88534155
N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline
CID 10612142
3-chloro-N-ethyl-N-[2-(4-methylpyridin-1-ium-1-yl)ethyl]aniline
CID 23346955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-bis(2-ethenoxyethyl)aniline?
The IUPAC name of 3-chloro-N,N-bis(2-ethenoxyethyl)aniline (CID 22336314) is 3-chloro-N,N-bis(2-ethenoxyethyl)aniline.
What is the SMILES notation for 3-chloro-N,N-bis(2-ethenoxyethyl)aniline?
The canonical SMILES for 3-chloro-N,N-bis(2-ethenoxyethyl)aniline is C=COCCN(CCOC=C)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N,N-bis(2-ethenoxyethyl)aniline?
The InChIKey is QOCCRQDBVBFTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-17-10-8-16(9-11-18-4-2)14-7-5-6-13(15)12-14/h3-7,12H,1-2,8-11H2.
What are the key properties of 3-chloro-N,N-bis(2-ethenoxyethyl)aniline?
3-chloro-N,N-bis(2-ethenoxyethyl)aniline has a molecular weight of 267.76 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-bis(2-ethenoxyethyl)aniline is sourced from PubChem (CID 22336314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).