2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine

C12H20ClNO3 — CID 82215232

IUPAC2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC(Cl)c1ccco1
InChIInChI=1S/C12H20ClNO3/c1-15-8-5-14(6-9-16-2)10-11(13)12-4-3-7-17-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyXULMXGYHPDFPIZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.15
Rot. Bonds9

About 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine

2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine (PubChem CID 82215232) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine
PubChem CID82215232
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)CC(Cl)c1ccco1
InChIInChI=1S/C12H20ClNO3/c1-15-8-5-14(6-9-16-2)10-11(13)12-4-3-7-17-12/h3-4,7,11H,5-6,8-10H2,1-2H3
InChIKeyXULMXGYHPDFPIZ-UHFFFAOYSA-N
XLogP2.15
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-[1-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554463
1-(furan-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986599
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
2-[[2-amino-1-(furan-2-yl)propyl]-(2-methoxyethyl)amino]ethanol
CID 113467681
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]furan
CID 61083920
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55138914
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
1-[furan-2-ylmethyl(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 24713625
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
2-(1-chloro-2-phenylethyl)furan
CID 63016846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The IUPAC name of 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine (CID 82215232) is 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine is COCCN(CCOC)CC(Cl)c1ccco1.
What is the InChIKey of 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine?
The InChIKey is XULMXGYHPDFPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO3/c1-15-8-5-14(6-9-16-2)10-11(13)12-4-3-7-17-12/h3-4,7,11H,5-6,8-10H2,1-2H3.
What are the key properties of 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine?
2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine has a molecular weight of 261.75 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(furan-2-yl)-N,N-bis(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82215232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).