N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine

C17H27NO3 — CID 105147214

IUPACN-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1OC)C1CCOCC1
InChIInChI=1S/C17H27NO3/c1-4-10-18-16(13-8-11-21-12-9-13)14-6-5-7-15(19-2)17(14)20-3/h5-7,13,16,18H,4,8-12H2,1-3H3
InChIKeyPIZPJLXLTZYWJI-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine

N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 105147214) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID105147214
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1OC)C1CCOCC1
InChIInChI=1S/C17H27NO3/c1-4-10-18-16(13-8-11-21-12-9-13)14-6-5-7-15(19-2)17(14)20-3/h5-7,13,16,18H,4,8-12H2,1-3H3
InChIKeyPIZPJLXLTZYWJI-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[oxan-4-yl(quinolin-4-yl)methyl]propan-1-amine
CID 105147197
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[(3-bromo-2-methylphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855832
N-[(2-bromo-3-fluorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855854
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine (CID 105147214) is N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1OC)C1CCOCC1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is PIZPJLXLTZYWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-10-18-16(13-8-11-21-12-9-13)14-6-5-7-15(19-2)17(14)20-3/h5-7,13,16,18H,4,8-12H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105147214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).