8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine

C12H16ClNO — CID 43537828

IUPAC8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2c(C)ccc(Cl)c2OCC1C
InChIInChI=1S/C12H16ClNO/c1-7-4-5-9(13)12-10(7)11(14-3)8(2)6-15-12/h4-5,8,11,14H,6H2,1-3H3
InChIKeyVYHBZBWDONFQEE-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.94
Rot. Bonds1

About 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine

8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43537828) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43537828
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2c(C)ccc(Cl)c2OCC1C
InChIInChI=1S/C12H16ClNO/c1-7-4-5-9(13)12-10(7)11(14-3)8(2)6-15-12/h4-5,8,11,14H,6H2,1-3H3
InChIKeyVYHBZBWDONFQEE-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537588
9-chloro-N,6-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512693
7-chloro-N-cyclopropyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512699
7-chloro-N-ethyl-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512702
9-chloro-N-cyclopropyl-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512689
7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
N,3,5,8-tetramethyl-1-oxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61288315
5,7-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234747
7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 143804356
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
7-chloro-N-methoxy-4-methyl-2-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 83049829

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine (CID 43537828) is 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2c(C)ccc(Cl)c2OCC1C.
What is the InChIKey of 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VYHBZBWDONFQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-4-5-9(13)12-10(7)11(14-3)8(2)6-15-12/h4-5,8,11,14H,6H2,1-3H3.
What are the key properties of 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine?
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43537828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).