N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine

C16H22F3NO3S — CID 19028106

IUPACN,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(S(=O)(=O)C(F)(F)F)c2C1
InChIInChI=1S/C16H22F3NO3S/c1-3-8-20(9-4-2)12-10-13-14(23-11-12)6-5-7-15(13)24(21,22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyAJBQOMKVPQFQBV-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.41
Rot. Bonds6

About N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine

N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 19028106) has the molecular formula C16H22F3NO3S and a molecular weight of 365.42 g/mol. Its IUPAC name is N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID19028106
Molecular FormulaC16H22F3NO3S
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC NameN,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(S(=O)(=O)C(F)(F)F)c2C1
InChIInChI=1S/C16H22F3NO3S/c1-3-8-20(9-4-2)12-10-13-14(23-11-12)6-5-7-15(13)24(21,22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyAJBQOMKVPQFQBV-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine (CID 19028106) is N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)C1COc2cccc(S(=O)(=O)C(F)(F)F)c2C1.
What is the InChIKey of N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is AJBQOMKVPQFQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3S/c1-3-8-20(9-4-2)12-10-13-14(23-11-12)6-5-7-15(13)24(21,22)16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine?
N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 365.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-5-(trifluoromethylsulfonyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 19028106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).