N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine

C16H19NO2 — CID 107149018

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1ccc(C(C)NC2COCc3ccccc32)o1
InChIInChI=1S/C16H19NO2/c1-11-7-8-16(19-11)12(2)17-15-10-18-9-13-5-3-4-6-14(13)15/h3-8,12,15,17H,9-10H2,1-2H3
InChIKeyNSSOSNQNTIRNPA-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.51
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine

N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149018) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149018
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
SMILESCc1ccc(C(C)NC2COCc3ccccc32)o1
InChIInChI=1S/C16H19NO2/c1-11-7-8-16(19-11)12(2)17-15-10-18-9-13-5-3-4-6-14(13)15/h3-8,12,15,17H,9-10H2,1-2H3
InChIKeyNSSOSNQNTIRNPA-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149520
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149518
2-(3,4-dihydro-1H-isochromen-4-ylamino)propan-1-ol
CID 107148964
N-[1-(3-bromophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148988
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149523
2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81140827
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81300722
N-(1-phenylbutyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149078
N-(3-methoxy-2-methylpropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149306
N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
1-(3,4-dihydro-1H-isochromen-4-yl)-N-methylethanamine
CID 107150351

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine (CID 107149018) is N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine is Cc1ccc(C(C)NC2COCc3ccccc32)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is NSSOSNQNTIRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-8-16(19-11)12(2)17-15-10-18-9-13-5-3-4-6-14(13)15/h3-8,12,15,17H,9-10H2,1-2H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine?
N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 257.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).