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

C17H25NO — CID 102651437

IUPACN-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)C1=CCCO1
InChIInChI=1S/C17H25NO/c1-4-7-18-16(17-6-5-8-19-17)12-15-10-13(2)9-14(3)11-15/h6,9-11,16,18H,4-5,7-8,12H2,1-3H3
InChIKeyMCXLGKOOBIEZQN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.52
Rot. Bonds6

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

N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 102651437) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
PubChem CID102651437
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)cc(C)c1)C1=CCCO1
InChIInChI=1S/C17H25NO/c1-4-7-18-16(17-6-5-8-19-17)12-15-10-13(2)9-14(3)11-15/h6,9-11,16,18H,4-5,7-8,12H2,1-3H3
InChIKeyMCXLGKOOBIEZQN-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102647380
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
CID 102653741
1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 102651881
N-[2,3-dihydrofuran-5-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102653514
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
2-(4-bromophenyl)-1-(2,3-dihydrofuran-5-yl)-N-ethylethanamine
CID 102651241
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
N-[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559989
N-[2-(3,5-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 66274194
1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 102653664

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine (CID 102651437) is N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)cc(C)c1)C1=CCCO1.
What is the InChIKey of N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is MCXLGKOOBIEZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-7-18-16(17-6-5-8-19-17)12-15-10-13(2)9-14(3)11-15/h6,9-11,16,18H,4-5,7-8,12H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine?
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102651437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).