2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine

C16H21N3O — CID 103905314

IUPAC2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-11(12-9-17-18-10-12)19-14-8-16(2,3)20-15-7-5-4-6-13(14)15/h4-7,9-11,14,19H,8H2,1-3H3,(H,17,18)
InChIKeyMIFZNUFSSQPDRZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.36
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine (PubChem CID 103905314) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
PubChem CID103905314
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCC(NC1CC(C)(C)Oc2ccccc21)c1cn[nH]c1
InChIInChI=1S/C16H21N3O/c1-11(12-9-17-18-10-12)19-14-8-16(2,3)20-15-7-5-4-6-13(14)15/h4-7,9-11,14,19H,8H2,1-3H3,(H,17,18)
InChIKeyMIFZNUFSSQPDRZ-UHFFFAOYSA-N
XLogP3.36
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-pyridin-3-ylethyl)-3,4-dihydrochromen-4-amine
CID 81139220
2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 106281899
2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propan-1-ol
CID 81136488
3-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 114158489
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
(4R)-N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 124743503
(2S)-2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-methylbutan-1-ol
CID 81142918
2,2-dimethyl-N-pentan-2-yl-3,4-dihydrochromen-4-amine
CID 81137015
3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]butan-1-ol
CID 81338296
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
3-[1-(1H-pyrazol-4-yl)ethylamino]oxolan-2-one
CID 130619915

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine (CID 103905314) is 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine is CC(NC1CC(C)(C)Oc2ccccc21)c1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine?
The InChIKey is MIFZNUFSSQPDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(12-9-17-18-10-12)19-14-8-16(2,3)20-15-7-5-4-6-13(14)15/h4-7,9-11,14,19H,8H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 103905314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).