6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

C13H18ClNO — CID 114709040

IUPAC6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H18ClNO/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3
InChIKeyBZOGYBJICJPNPF-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.54
Rot. Bonds2

About 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709040) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709040
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)CC1CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H18ClNO/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3
InChIKeyBZOGYBJICJPNPF-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 104945006
(4S)-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945971
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201319
(4S)-2-benzyl-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104945286
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945012
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944437
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709040) is 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)CC1CC(N)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BZOGYBJICJPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8(2)5-10-7-12(15)11-6-9(14)3-4-13(11)16-10/h3-4,6,8,10,12H,5,7,15H2,1-2H3.
What are the key properties of 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).