N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

C17H27NO3 — CID 105013583

IUPACN-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)C1OCCC1C
InChIInChI=1S/C17H27NO3/c1-5-7-18-16(17-12(2)6-8-21-17)13-9-14(19-3)11-15(10-13)20-4/h9-12,16-18H,5-8H2,1-4H3
InChIKeyDNNWIXGENHJNAP-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105013583) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105013583
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(OC)cc(OC)c1)C1OCCC1C
InChIInChI=1S/C17H27NO3/c1-5-7-18-16(17-12(2)6-8-21-17)13-9-14(19-3)11-15(10-13)20-4/h9-12,16-18H,5-8H2,1-4H3
InChIKeyDNNWIXGENHJNAP-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-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105006959
N-[2-methoxy-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105008827
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105042952
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105017391
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143
N-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)-2-methoxyethyl]propan-1-amine
CID 116722688

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105013583) is N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cc(OC)cc(OC)c1)C1OCCC1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is DNNWIXGENHJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-7-18-16(17-12(2)6-8-21-17)13-9-14(19-3)11-15(10-13)20-4/h9-12,16-18H,5-8H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-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-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105013583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).