(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C12H13Cl2NO — CID 105033531

IUPAC(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,7,12H,2-3,6,15H2
InChIKeyHGNSRCFWDFQJKM-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.69
Rot. Bonds2

About (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 105033531) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID105033531
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H13Cl2NO/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,7,12H,2-3,6,15H2
InChIKeyHGNSRCFWDFQJKM-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033054
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107103040
(3-bromo-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 105033406
[(2-chlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 105210973
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 103407202
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 114894573
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
(2,3-dichlorophenyl)methanediamine
CID 139660481
[2-(2-chlorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]hydrazine
CID 105209440

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 105033531) is (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is NC(C1=COCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is HGNSRCFWDFQJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-10-5-1-4-9(11(10)14)12(15)8-3-2-6-16-7-8/h1,4-5,7,12H,2-3,6,15H2.
What are the key properties of (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 258.15 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 105033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).