N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine

C17H25NO3 — CID 105033460

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1c(OC)cccc1OC
InChIInChI=1S/C17H25NO3/c1-4-10-18-17(13-7-6-11-21-12-13)16-14(19-2)8-5-9-15(16)20-3/h5,8-9,12,17-18H,4,6-7,10-11H2,1-3H3
InChIKeyAOKVDTJULTVTPX-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.44
Rot. Bonds7

About N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine

N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine (PubChem CID 105033460) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
PubChem CID105033460
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)c1c(OC)cccc1OC
InChIInChI=1S/C17H25NO3/c1-4-10-18-17(13-7-6-11-21-12-13)16-14(19-2)8-5-9-15(16)20-3/h5,8-9,12,17-18H,4,6-7,10-11H2,1-3H3
InChIKeyAOKVDTJULTVTPX-UHFFFAOYSA-N
XLogP3.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 114887427
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
N-[3,4-dihydro-2H-pyran-5-yl(quinolin-8-yl)methyl]propan-1-amine
CID 105179292
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[(4-bromo-3-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033088
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[3,4-dihydro-2H-pyran-5-yl-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 105033007

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine (CID 105033460) is N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine is CCCNC(C1=COCCC1)c1c(OC)cccc1OC.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is AOKVDTJULTVTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-10-18-17(13-7-6-11-21-12-13)16-14(19-2)8-5-9-15(16)20-3/h5,8-9,12,17-18H,4,6-7,10-11H2,1-3H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine?
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 291.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105033460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).