1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine

C15H21NO — CID 105179419

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=COCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(16)14-3-2-10-17-11-14/h4-7,11,15H,2-3,8-10,16H2,1H3
InChIKeyWQAYGENWYLUCTA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.95
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 105179419) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID105179419
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CCC(N)C2=COCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(16)14-3-2-10-17-11-14/h4-7,11,15H,2-3,8-10,16H2,1H3
InChIKeyWQAYGENWYLUCTA-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
1-(2,3-dihydrofuran-5-yl)-3-(4-methylphenyl)propan-1-amine
CID 102653299
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544151
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine;hydrochloride
CID 117047046
5-(4-propylphenyl)-3,4-dihydro-2H-pyran
CID 21247868
1-(2,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105145357
[1-(cyclohepten-1-yl)-3-(4-methylphenyl)propyl]hydrazine
CID 106650193
1-amino-3-(4-methylphenyl)propane-1-sulfonic acid
CID 175464226
3,4-dihydro-2H-pyran-5-yl-(3-methylfuran-2-yl)methanamine
CID 104804172
1,1,1-trifluoro-4-(4-methylphenyl)butan-2-amine
CID 11816793
1-(3-bromo-2-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 106647676

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine (CID 105179419) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CCC(N)C2=COCCC2)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is WQAYGENWYLUCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-4-6-13(7-5-12)8-9-15(16)14-3-2-10-17-11-14/h4-7,11,15H,2-3,8-10,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.95, 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)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105179419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).