(3,5-dichlorophenyl)-(furan-3-yl)methanamine

C11H9Cl2NO — CID 115855603

IUPAC(3,5-dichlorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h1-6,11H,14H2
InChIKeyWZRCYHJPBQDVCY-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.63
Rot. Bonds2

About (3,5-dichlorophenyl)-(furan-3-yl)methanamine

(3,5-dichlorophenyl)-(furan-3-yl)methanamine (PubChem CID 115855603) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(furan-3-yl)methanamine
PubChem CID115855603
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name(3,5-dichlorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h1-6,11H,14H2
InChIKeyWZRCYHJPBQDVCY-UHFFFAOYSA-N
XLogP3.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
furan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 115855557
(3,4-dimethylphenyl)-(furan-3-yl)methanamine
CID 43464604
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
CID 105398463
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
furan-3-ylmethanediamine
CID 54545098
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
CID 43384504
(3-bromo-5-chlorophenyl)-(furan-3-yl)methanol
CID 107947484
(3-bromophenyl)-(furan-3-yl)methanamine;methanethione
CID 143594440
furan-3-yl-(5-methyl-3-pyridinyl)methanamine
CID 115374562
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(4-ethylsulfanylphenyl)-(furan-3-yl)methanamine
CID 106848700

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(furan-3-yl)methanamine?
The IUPAC name of (3,5-dichlorophenyl)-(furan-3-yl)methanamine (CID 115855603) is (3,5-dichlorophenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (3,5-dichlorophenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (3,5-dichlorophenyl)-(furan-3-yl)methanamine is NC(c1ccoc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichlorophenyl)-(furan-3-yl)methanamine?
The InChIKey is WZRCYHJPBQDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-9-3-8(4-10(13)5-9)11(14)7-1-2-15-6-7/h1-6,11H,14H2.
What are the key properties of (3,5-dichlorophenyl)-(furan-3-yl)methanamine?
(3,5-dichlorophenyl)-(furan-3-yl)methanamine has a molecular weight of 242.11 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 115855603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).