ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine

C12H19NO — CID 143399161

IUPACethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC.CNC1CCOc2ccccc21
InChIInChI=1S/C10H13NO.C2H6/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;1-2/h2-5,9,11H,6-7H2,1H3;1-2H3
InChIKeyFUPKXLSXINEMSJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds1

About ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine

ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 143399161) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Nameethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID143399161
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC.CNC1CCOc2ccccc21
InChIInChI=1S/C10H13NO.C2H6/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;1-2/h2-5,9,11H,6-7H2,1H3;1-2H3
InChIKeyFUPKXLSXINEMSJ-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 172780354
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 143399161) is ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine is CC.CNC1CCOc2ccccc21.
What is the InChIKey of ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FUPKXLSXINEMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-11-9-6-7-12-10-5-3-2-4-8(9)10;1-2/h2-5,9,11H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine?
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 193.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 143399161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).