N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine

C16H23NO — CID 102653281

IUPACN-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(C)ccc1C
InChIInChI=1S/C16H23NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyUGSDBMBALQXJBT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.65
Rot. Bonds5

About N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine

N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine (PubChem CID 102653281) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
PubChem CID102653281
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(C)ccc1C
InChIInChI=1S/C16H23NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyUGSDBMBALQXJBT-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine (CID 102653281) is N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc(C)ccc1C.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is UGSDBMBALQXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h6-8,11,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine?
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 102653281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).