N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

C16H25NO3 — CID 105013645

IUPACN-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h8-11,15-17H,5-7H2,1-4H3
InChIKeyRWCZUSIMOOUAOC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine

N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 105013645) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID105013645
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)C1CCOC1C
InChIInChI=1S/C16H25NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h8-11,15-17H,5-7H2,1-4H3
InChIKeyRWCZUSIMOOUAOC-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105032916
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(2,4-difluorophenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 79758597
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
[(5-methoxy-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105329724
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760034
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105045609
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine (CID 105013645) is N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cc(OC)cc(OC)c1)C1CCOC1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is RWCZUSIMOOUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-17-16(15-6-7-20-11(15)2)12-8-13(18-3)10-14(9-12)19-4/h8-11,15-17H,5-7H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105013645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).