N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H19NO3 — CID 81402765

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccco1)CCO2
InChIInChI=1S/C16H19NO3/c1-11(15-4-3-8-19-15)17-14-7-9-20-16-6-5-12(18-2)10-13(14)16/h3-6,8,10-11,14,17H,7,9H2,1-2H3/t11-,14?/m0/s1
InChIKeyBHROLANPIZQRFH-ZSOXZCCMSA-N
MW273.33 g/mol
LogP3.46
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81402765) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID81402765
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(N[C@@H](C)c1ccco1)CCO2
InChIInChI=1S/C16H19NO3/c1-11(15-4-3-8-19-15)17-14-7-9-20-16-6-5-12(18-2)10-13(14)16/h3-6,8,10-11,14,17H,7,9H2,1-2H3/t11-,14?/m0/s1
InChIKeyBHROLANPIZQRFH-ZSOXZCCMSA-N
XLogP3.46
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81403157
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81367470
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398
N-(2-cyclopropylpropyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 115713963
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 81402765) is N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(N[C@@H](C)c1ccco1)CCO2.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BHROLANPIZQRFH-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(15-4-3-8-19-15)17-14-7-9-20-16-6-5-12(18-2)10-13(14)16/h3-6,8,10-11,14,17H,7,9H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81402765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).