1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine

C14H18ClNO — CID 157437052

IUPAC1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine
SMILESC=C(C1COc2c(C)cc(Cl)cc2C1)N(C)C
InChIInChI=1S/C14H18ClNO/c1-9-5-13(15)7-11-6-12(8-17-14(9)11)10(2)16(3)4/h5,7,12H,2,6,8H2,1,3-4H3
InChIKeyAANRIDMFOVQPBD-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.27
Rot. Bonds2

About 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine

1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine (PubChem CID 157437052) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine
PubChem CID157437052
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine
SMILESC=C(C1COc2c(C)cc(Cl)cc2C1)N(C)C
InChIInChI=1S/C14H18ClNO/c1-9-5-13(15)7-11-6-12(8-17-14(9)11)10(2)16(3)4/h5,7,12H,2,6,8H2,1,3-4H3
InChIKeyAANRIDMFOVQPBD-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine?
The IUPAC name of 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine (CID 157437052) is 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine.
What is the SMILES notation for 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine?
The canonical SMILES for 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine is C=C(C1COc2c(C)cc(Cl)cc2C1)N(C)C.
What is the InChIKey of 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine?
The InChIKey is AANRIDMFOVQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9-5-13(15)7-11-6-12(8-17-14(9)11)10(2)16(3)4/h5,7,12H,2,6,8H2,1,3-4H3.
What are the key properties of 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine?
1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine has a molecular weight of 251.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-8-methyl-3,4-dihydro-2H-chromen-3-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 157437052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).