1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine

C16H23NO — CID 113370560

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1=COCCC1
InChIInChI=1S/C16H23NO/c1-12-6-7-14(9-13(12)2)10-16(17-3)15-5-4-8-18-11-15/h6-7,9,11,16-17H,4-5,8,10H2,1-3H3
InChIKeyOGXGFOMTZWGZRO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.13
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 113370560) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID113370560
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1=COCCC1
InChIInChI=1S/C16H23NO/c1-12-6-7-14(9-13(12)2)10-16(17-3)15-5-4-8-18-11-15/h6-7,9,11,16-17H,4-5,8,10H2,1-3H3
InChIKeyOGXGFOMTZWGZRO-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105033530
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548
1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105179377

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 113370560) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is OGXGFOMTZWGZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-14(9-13(12)2)10-16(17-3)15-5-4-8-18-11-15/h6-7,9,11,16-17H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 113370560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).