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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Related Compounds

6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 103947047
ethyl 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 170902591
ethyl (3S)-6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334082
6-chloro-8-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 103351509
(3S)-6,8-dichloro-N,N-dimethyl-3,4-dihydro-2H-chromen-3-amine
CID 97356373
1-(5-chloro-7-methyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456202
8-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-3-amine
CID 53249807
5-chloro-N-cyclopropyl-7-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512040
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
(3S)-6-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9093113
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244

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).