N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine

C17H21NO2 — CID 106888721

IUPACN-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H21NO2/c1-2-8-18-12-17-15(7-10-20-17)13-5-6-16-14(11-13)4-3-9-19-16/h5-7,10-11,18H,2-4,8-9,12H2,1H3
InChIKeyDAUSWBTYTAFJNM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.77
Rot. Bonds5

About N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine

N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106888721) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID106888721
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H21NO2/c1-2-8-18-12-17-15(7-10-20-17)13-5-6-16-14(11-13)4-3-9-19-16/h5-7,10-11,18H,2-4,8-9,12H2,1H3
InChIKeyDAUSWBTYTAFJNM-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
CID 106888690
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[3-(3,4-dihydro-2H-chromen-6-yl)-4-methylphenyl]methyl]ethanamine
CID 105409957
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
6-(4-pentan-3-ylphenyl)-3,4-dihydro-2H-chromene
CID 126760659
1-[5-(3,4-dihydro-2H-chromen-6-yl)-2-fluorophenyl]-N-methylmethanamine
CID 61032684
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine (CID 106888721) is N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is DAUSWBTYTAFJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-8-18-12-17-15(7-10-20-17)13-5-6-16-14(11-13)4-3-9-19-16/h5-7,10-11,18H,2-4,8-9,12H2,1H3.
What are the key properties of N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydro-2H-chromen-6-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).