N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine

C15H21NO — CID 113370529

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ccccc1C
InChIInChI=1S/C15H21NO/c1-3-16-15(13-8-6-10-17-11-13)14-9-5-4-7-12(14)2/h4-5,7,9,11,15-16H,3,6,8,10H2,1-2H3
InChIKeyNZOIFKJBZLCTNB-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine (PubChem CID 113370529) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
PubChem CID113370529
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)c1ccccc1C
InChIInChI=1S/C15H21NO/c1-3-16-15(13-8-6-10-17-11-13)14-9-5-4-7-12(14)2/h4-5,7,9,11,15-16H,3,6,8,10H2,1-2H3
InChIKeyNZOIFKJBZLCTNB-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-4-pyridinyl)methyl]ethanamine
CID 113370642
N-[(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 114894935
N-[(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 107968989
1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 107985362
N-[(4-chloro-2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105033083
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 105033009
N-[3,4-dihydro-2H-pyran-5-yl-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 113370645
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-phenylbutan-1-amine
CID 105033012
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine (CID 113370529) is N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine is CCNC(C1=COCCC1)c1ccccc1C.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine?
The InChIKey is NZOIFKJBZLCTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-16-15(13-8-6-10-17-11-13)14-9-5-4-7-12(14)2/h4-5,7,9,11,15-16H,3,6,8,10H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 113370529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).