1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

C12H13Cl2NO — CID 102652031

IUPAC1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-15-12(11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h3-5,7,12,15H,2,6H2,1H3
InChIKeyBIUJDLJRSSWLAI-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.56
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (PubChem CID 102652031) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
PubChem CID102652031
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-15-12(11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h3-5,7,12,15H,2,6H2,1H3
InChIKeyBIUJDLJRSSWLAI-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 102651298
1-(2,3-dihydrofuran-5-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 102653596
[(3-bromo-4-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654296
[(3-chloro-4-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654140
1-(2,3-dihydrofuran-5-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 102651572
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102648818
1-(5-bromothiophen-3-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652893
1-(3-bromo-5-methylphenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652981
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 102652299
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 102651549
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (CID 102652031) is 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is CNC(C1=CCCO1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The InChIKey is BIUJDLJRSSWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-15-12(11-3-2-6-16-11)8-4-5-9(13)10(14)7-8/h3-5,7,12,15H,2,6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine has a molecular weight of 258.15 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 102652031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).