N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine

C16H25NOS — CID 107763378

IUPACN-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2ccccc2OCC1SC(C)C(C)C
InChIInChI=1S/C16H25NOS/c1-5-17-16-13-8-6-7-9-14(13)18-10-15(16)19-12(4)11(2)3/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeySABZWBSNBFMKGU-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.88
Rot. Bonds5

About N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine

N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107763378) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID107763378
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1c2ccccc2OCC1SC(C)C(C)C
InChIInChI=1S/C16H25NOS/c1-5-17-16-13-8-6-7-9-14(13)18-10-15(16)19-12(4)11(2)3/h6-9,11-12,15-17H,5,10H2,1-4H3
InChIKeySABZWBSNBFMKGU-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]butan-2-ol
CID 107772473
N-ethyl-3-prop-2-enylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 114272351
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
3-(3-methylbutylsulfanyl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 107763958
N-ethyl-3-(2-methylpentoxy)-3,4-dihydro-2H-chromen-4-amine
CID 103283499
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627
3-methyl-N-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104523746
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675
3-(3-methoxypropylsulfanyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 64628268

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine (CID 107763378) is N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1c2ccccc2OCC1SC(C)C(C)C.
What is the InChIKey of N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SABZWBSNBFMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-17-16-13-8-6-7-9-14(13)18-10-15(16)19-12(4)11(2)3/h6-9,11-12,15-17H,5,10H2,1-4H3.
What are the key properties of N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 279.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylbutan-2-ylsulfanyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107763378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).