3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C17H23N3O — CID 104524257

IUPAC3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(C)c1CNC1c2ccccc2OCC1C
InChIInChI=1S/C17H23N3O/c1-11-10-21-16-8-6-5-7-14(16)17(11)18-9-15-12(2)19-20(4)13(15)3/h5-8,11,17-18H,9-10H2,1-4H3
InChIKeyGCKCMECKUVGACH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.90
Rot. Bonds3

About 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104524257) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID104524257
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1nn(C)c(C)c1CNC1c2ccccc2OCC1C
InChIInChI=1S/C17H23N3O/c1-11-10-21-16-8-6-5-7-14(16)17(11)18-9-15-12(2)19-20(4)13(15)3/h5-8,11,17-18H,9-10H2,1-4H3
InChIKeyGCKCMECKUVGACH-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 114698615
3-methyl-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 104524410
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
CID 138014959
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
CID 106125894
N,N,1,3-tetramethyl-4-[[[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]methyl]pyrazol-5-amine
CID 94823238
3-(2-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79003721
2,2-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-dihydroinden-1-amine
CID 82798114
4-[2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]ethyl]phenol
CID 104524065
3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30749875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 104524257) is 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1nn(C)c(C)c1CNC1c2ccccc2OCC1C.
What is the InChIKey of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GCKCMECKUVGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-10-21-16-8-6-5-7-14(16)17(11)18-9-15-12(2)19-20(4)13(15)3/h5-8,11,17-18H,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104524257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).