N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine

C12H17NO2 — CID 91322782

IUPACN-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)ONC1CCOc2ccccc21
InChIInChI=1S/C12H17NO2/c1-9(2)15-13-11-7-8-14-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyGYLPTWLKHIEBMM-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds3

About N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine

N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 91322782) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID91322782
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)ONC1CCOc2ccccc21
InChIInChI=1S/C12H17NO2/c1-9(2)15-13-11-7-8-14-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3
InChIKeyGYLPTWLKHIEBMM-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
CID 102402072
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 116675622
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
2-N-(3,4-dihydro-2H-chromen-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939350
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine (CID 91322782) is N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine is CC(C)ONC1CCOc2ccccc21.
What is the InChIKey of N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GYLPTWLKHIEBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)15-13-11-7-8-14-12-6-4-3-5-10(11)12/h3-6,9,11,13H,7-8H2,1-2H3.
What are the key properties of N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine?
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 207.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 91322782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).