N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine

C16H23NO3 — CID 43495861

IUPACN-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)OCCO2)C1CCCO1
InChIInChI=1S/C16H23NO3/c1-2-7-17-16(14-4-3-8-18-14)12-5-6-13-15(11-12)20-10-9-19-13/h5-6,11,14,16-17H,2-4,7-10H2,1H3
InChIKeyPRXMQKKMSOTJHB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.68
Rot. Bonds5

About N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine

N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine (PubChem CID 43495861) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
PubChem CID43495861
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)OCCO2)C1CCCO1
InChIInChI=1S/C16H23NO3/c1-2-7-17-16(14-4-3-8-18-14)12-5-6-13-15(11-12)20-10-9-19-13/h5-6,11,14,16-17H,2-4,7-10H2,1H3
InChIKeyPRXMQKKMSOTJHB-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxan-2-yl)methyl]ethanamine
CID 62215137
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-ethoxyphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43495188
N-[oxolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65328590
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 115479076
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine (CID 43495861) is N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)OCCO2)C1CCCO1.
What is the InChIKey of N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine?
The InChIKey is PRXMQKKMSOTJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-7-17-16(14-4-3-8-18-14)12-5-6-13-15(11-12)20-10-9-19-13/h5-6,11,14,16-17H,2-4,7-10H2,1H3.
What are the key properties of N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine has a molecular weight of 277.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43495861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).