N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

C14H17Cl2NO — CID 102649448

IUPACN-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-17-14(12-8-3-4-9-18-12)13-10(15)6-5-7-11(13)16/h5-8,14,17H,2-4,9H2,1H3
InChIKeyNNHZAWSAANLWRP-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.34
Rot. Bonds4

About N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine

N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (PubChem CID 102649448) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
PubChem CID102649448
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-17-14(12-8-3-4-9-18-12)13-10(15)6-5-7-11(13)16/h5-8,14,17H,2-4,9H2,1H3
InChIKeyNNHZAWSAANLWRP-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650276
3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
CID 102649394
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
N-[(3-chloro-4,5-dimethoxyphenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647242
N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
CID 103128405
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
2-(2-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylethanamine
CID 102647655
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
N-[3,4-dihydro-2H-pyran-6-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804682

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine (CID 102649448) is N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is CCNC(C1=CCCCO1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
The InChIKey is NNHZAWSAANLWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-17-14(12-8-3-4-9-18-12)13-10(15)6-5-7-11(13)16/h5-8,14,17H,2-4,9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine?
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine has a molecular weight of 286.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine is sourced from PubChem (CID 102649448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).