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

C14H13Cl2NOS — CID 107969236

IUPAC(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C14H13Cl2NOS/c15-11-7-10(14(16)19-11)12(17)9-5-1-3-8-4-2-6-18-13(8)9/h1,3,5,7,12H,2,4,6,17H2
InChIKeyDTULFVAMBIXQCQ-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.43
Rot. Bonds2

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

(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 107969236) has the molecular formula C14H13Cl2NOS and a molecular weight of 314.24 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID107969236
Molecular FormulaC14H13Cl2NOS
Molecular Weight314.24 g/mol
Exact Mass313.01
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C14H13Cl2NOS/c15-11-7-10(14(16)19-11)12(17)9-5-1-3-8-4-2-6-18-13(8)9/h1,3,5,7,12H,2,4,6,17H2
InChIKeyDTULFVAMBIXQCQ-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(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
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(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
(3,5-dichloro-2-pyridinyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745822
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
3,4-dihydro-2H-chromen-8-yl(1,3-thiazol-5-yl)methanamine
CID 114745898
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
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

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 107969236) is (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is NC(c1cc(Cl)sc1Cl)c1cccc2c1OCCC2.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is DTULFVAMBIXQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NOS/c15-11-7-10(14(16)19-11)12(17)9-5-1-3-8-4-2-6-18-13(8)9/h1,3,5,7,12H,2,4,6,17H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 107969236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).