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

C17H23NO — CID 106887808

IUPACN-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23NO/c1-5-7-18-11-16-15(6-8-19-16)17-13(3)9-12(2)10-14(17)4/h6,8-10,18H,5,7,11H2,1-4H3
InChIKeyRWOOTLBUCUCBQF-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.37
Rot. Bonds5

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

N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 106887808) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
PubChem CID106887808
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1c(C)cc(C)cc1C
InChIInChI=1S/C17H23NO/c1-5-7-18-11-16-15(6-8-19-16)17-13(3)9-12(2)10-14(17)4/h6,8-10,18H,5,7,11H2,1-4H3
InChIKeyRWOOTLBUCUCBQF-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
CID 106887026
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888759
N-[[3-(2-methoxy-3,4-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888317
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[3-(1,4-dimethylpyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 112742390
N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887819
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(2-methoxy-4,6-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888367

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine (CID 106887808) is N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1c(C)cc(C)cc1C.
What is the InChIKey of N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is RWOOTLBUCUCBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-7-18-11-16-15(6-8-19-16)17-13(3)9-12(2)10-14(17)4/h6,8-10,18H,5,7,11H2,1-4H3.
What are the key properties of N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).