(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine

C16H25NO3 — CID 124572307

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c([C@H](C)NC[C@@H]2CC[C@H](C)O2)c1
InChIInChI=1S/C16H25NO3/c1-11-5-6-14(20-11)10-17-12(2)15-9-13(18-3)7-8-16(15)19-4/h7-9,11-12,14,17H,5-6,10H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyDJTALOJVMYTTGH-OBJOEFQTSA-N
MW279.38 g/mol
LogP2.92
Rot. Bonds6

About (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine

(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine (PubChem CID 124572307) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
PubChem CID124572307
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c([C@H](C)NC[C@@H]2CC[C@H](C)O2)c1
InChIInChI=1S/C16H25NO3/c1-11-5-6-14(20-11)10-17-12(2)15-9-13(18-3)7-8-16(15)19-4/h7-9,11-12,14,17H,5-6,10H2,1-4H3/t11-,12-,14-/m0/s1
InChIKeyDJTALOJVMYTTGH-OBJOEFQTSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023281
1-(2-chlorophenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82835073
1-[4-methoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135196
1-[1-(2,5-dimethoxyphenyl)ethylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904967
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-(4-tert-butylphenyl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82834989
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
4-[[1-(2,5-dimethoxyphenyl)ethylamino]methyl]oxan-4-ol
CID 81134000
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine (CID 124572307) is (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine is COc1ccc(OC)c([C@H](C)NC[C@@H]2CC[C@H](C)O2)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine?
The InChIKey is DJTALOJVMYTTGH-OBJOEFQTSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-5-6-14(20-11)10-17-12(2)15-9-13(18-3)7-8-16(15)19-4/h7-9,11-12,14,17H,5-6,10H2,1-4H3/t11-,12-,14-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine?
(1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-N-[[(2S,5S)-5-methyloxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 124572307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).