N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine

C15H22FNS — CID 105356835

IUPACN-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCNC1c2cc(F)cc(C)c2CSC1C(C)C
InChIInChI=1S/C15H22FNS/c1-5-17-14-12-7-11(16)6-10(4)13(12)8-18-15(14)9(2)3/h6-7,9,14-15,17H,5,8H2,1-4H3
InChIKeyMEEMDRWPPWEKGW-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.06
Rot. Bonds3

About N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine

N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356835) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356835
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCNC1c2cc(F)cc(C)c2CSC1C(C)C
InChIInChI=1S/C15H22FNS/c1-5-17-14-12-7-11(16)6-10(4)13(12)8-18-15(14)9(2)3/h6-7,9,14-15,17H,5,8H2,1-4H3
InChIKeyMEEMDRWPPWEKGW-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356875
N-ethyl-7-fluoro-3,9-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114350292
N-ethyl-8-fluoro-7-methoxy-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356862
6-chloro-7-fluoro-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 107898706
8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884
N,3-diethyl-8-fluoro-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 102880088
8-chloro-3-ethyl-6-fluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356620
6-fluoro-4-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 62124896
N-ethyl-2,4,6-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79725988
N-ethyl-5,6-dimethoxy-3,8-dimethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82888287
N-ethyl-5,7-difluoro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049043
7-chloro-N-ethyl-9-fluoro-4-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 114863043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356835) is N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine is CCNC1c2cc(F)cc(C)c2CSC1C(C)C.
What is the InChIKey of N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is MEEMDRWPPWEKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-5-17-14-12-7-11(16)6-10(4)13(12)8-18-15(14)9(2)3/h6-7,9,14-15,17H,5,8H2,1-4H3.
What are the key properties of N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine?
N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 267.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-8-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).