(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C12H13Cl2NO — CID 102648980

IUPAC(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeyXITCYVMRASHYQW-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.69
Rot. Bonds2

About (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102648980) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102648980
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeyXITCYVMRASHYQW-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

(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649654
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647123
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 103443841
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 102648801
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649953
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(2,6-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653572
1-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647382
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102648980) is (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is XITCYVMRASHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2.
What are the key properties of (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-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 (2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102648980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).