(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C15H14Cl2N2O — CID 114745822

IUPAC(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-10-7-12(17)14(19-8-10)13(18)11-5-1-3-9-4-2-6-20-15(9)11/h1,3,5,7-8,13H,2,4,6,18H2
InChIKeyFRMPXBVAWDQHEQ-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.76
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 114745822) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID114745822
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cccc2c1OCCC2)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O/c16-10-7-12(17)14(19-8-10)13(18)11-5-1-3-9-4-2-6-20-15(9)11/h1,3,5,7-8,13H,2,4,6,18H2
InChIKeyFRMPXBVAWDQHEQ-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
3,4-dihydro-2H-chromen-8-yl(pyridin-3-yl)methanamine
CID 114744886
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898
3,4-dihydro-2H-chromen-8-yl(pyrimidin-4-yl)methanamine
CID 114745377
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 114745822) is (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1cccc2c1OCCC2)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is FRMPXBVAWDQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-10-7-12(17)14(19-8-10)13(18)11-5-1-3-9-4-2-6-20-15(9)11/h1,3,5,7-8,13H,2,4,6,18H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 309.20 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 114745822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).