6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

C13H18ClNO — CID 43512713

IUPAC6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2cc(C)c(Cl)c(C)c21
InChIInChI=1S/C13H18ClNO/c1-4-15-10-5-6-16-11-7-8(2)13(14)9(3)12(10)11/h7,10,15H,4-6H2,1-3H3
InChIKeyWCODSSXLCNMXMN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.39
Rot. Bonds2

About 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512713) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512713
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CCOc2cc(C)c(Cl)c(C)c21
InChIInChI=1S/C13H18ClNO/c1-4-15-10-5-6-16-11-7-8(2)13(14)9(3)12(10)11/h7,10,15H,4-6H2,1-3H3
InChIKeyWCODSSXLCNMXMN-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5,7-dimethyl-N-(3-methylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461710
5,7-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 43621790
6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462914
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43175689
6-bromo-5,8-dichloro-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 107659779
7-chloro-6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82243370
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82462545
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43512405
6-bromo-N-ethyl-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 63213338
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
7-chloro-N-ethyl-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 43512713) is 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CCOc2cc(C)c(Cl)c(C)c21.
What is the InChIKey of 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WCODSSXLCNMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-15-10-5-6-16-11-7-8(2)13(14)9(3)12(10)11/h7,10,15H,4-6H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).