(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine

C11H11Cl2NO — CID 102653572

IUPAC(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-5,11H,2,6,14H2
InChIKeyPEIVXZMQPNOPIS-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.30
Rot. Bonds2

About (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine

(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine (PubChem CID 102653572) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
PubChem CID102653572
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
SMILESNC(C1=CCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H11Cl2NO/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-5,11H,2,6,14H2
InChIKeyPEIVXZMQPNOPIS-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650276
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 103443841
2,3-dihydrofuran-5-yl(thiophen-2-yl)methanamine
CID 102651186
2,3-dihydrofuran-5-yl-(2-fluoro-3-methylphenyl)methanamine
CID 102653149
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-dichlorophenyl)methanamine
CID 43330448
(3-bromo-5-chlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 107947022
[2-(2-chloro-6-fluorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]hydrazine
CID 102654130
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
1-benzothiophen-3-yl(2,3-dihydrofuran-5-yl)methanamine
CID 102653017
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The IUPAC name of (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine (CID 102653572) is (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The canonical SMILES for (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine is NC(C1=CCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
The InChIKey is PEIVXZMQPNOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-7-3-1-4-8(13)10(7)11(14)9-5-2-6-15-9/h1,3-5,11H,2,6,14H2.
What are the key properties of (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine?
(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine has a molecular weight of 244.12 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine is sourced from PubChem (CID 102653572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).