(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine

C12H11Cl2NO — CID 43464792

IUPAC(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3
InChIKeyDDISFUBTXXPROK-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.94
Rot. Bonds2

About (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine

(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 43464792) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID43464792
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2NO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3
InChIKeyDDISFUBTXXPROK-UHFFFAOYSA-N
XLogP3.94
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,5-dichlorophenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802256
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine (CID 43464792) is (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is DDISFUBTXXPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7-9(4-5-16-7)12(15)10-6-8(13)2-3-11(10)14/h2-6,12H,15H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine?
(2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 256.13 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43464792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).