6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine

C13H16ClNO — CID 43536893

IUPAC6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(NC2CC2)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H16ClNO/c1-8-6-12(15-10-3-4-10)11-7-9(14)2-5-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3
InChIKeySHAJCSAWPYPNLF-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.30
Rot. Bonds2

About 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43536893) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43536893
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1CC(NC2CC2)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H16ClNO/c1-8-6-12(15-10-3-4-10)11-7-9(14)2-5-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3
InChIKeySHAJCSAWPYPNLF-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine (CID 43536893) is 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine is CC1CC(NC2CC2)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SHAJCSAWPYPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-8-6-12(15-10-3-4-10)11-7-9(14)2-5-13(11)16-8/h2,5,7-8,10,12,15H,3-4,6H2,1H3.
What are the key properties of 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 237.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43536893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).