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

C12H14ClNO — CID 114709076

IUPAC6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2
InChIKeyIMZPUJSFGKWNQW-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.90
Rot. Bonds1

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

6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709076) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709076
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2
InChIKeyIMZPUJSFGKWNQW-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107133991
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4S)-6-chloro-2-(3,5-dimethylcyclohex-3-en-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103278027
6-chloro-2-cyclobutyl-3,4-dihydro-2H-chromen-4-ol
CID 114714497
6-chloro-2-cyclopentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714546
(4R)-6-chloro-2-cycloheptyl-3,4-dihydro-2H-chromen-4-ol
CID 104949265
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
(4R)-6-chloro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949234
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine (CID 114709076) is 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine is NC1CC(C2CC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IMZPUJSFGKWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-8-3-4-11-9(5-8)10(14)6-12(15-11)7-1-2-7/h3-5,7,10,12H,1-2,6,14H2.
What are the key properties of 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 223.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).