N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine

C18H27NO — CID 102647380

IUPACN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)C1=CCCCO1
InChIInChI=1S/C18H27NO/c1-4-10-19-17(18-7-5-6-11-20-18)13-16-9-8-14(2)15(3)12-16/h7-9,12,17,19H,4-6,10-11,13H2,1-3H3
InChIKeyFPHDOLVMWGZSEJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.91
Rot. Bonds6

About N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 102647380) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID102647380
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)C1=CCCCO1
InChIInChI=1S/C18H27NO/c1-4-10-19-17(18-7-5-6-11-20-18)13-16-9-8-14(2)15(3)12-16/h7-9,12,17,19H,4-6,10-11,13H2,1-3H3
InChIKeyFPHDOLVMWGZSEJ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
N-[3,4-dihydro-2H-pyran-6-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 102649355
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
N-[3,4-dihydro-2H-pyran-6-yl(furan-2-yl)methyl]propan-1-amine
CID 102647362
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N-[3,4-dihydro-2H-pyran-6-yl-(3-fluorophenyl)methyl]propan-1-amine
CID 102647099
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine (CID 102647380) is N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)C1=CCCCO1.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is FPHDOLVMWGZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-10-19-17(18-7-5-6-11-20-18)13-16-9-8-14(2)15(3)12-16/h7-9,12,17,19H,4-6,10-11,13H2,1-3H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102647380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).