4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline

C17H28N2O3 — CID 99714151

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline
SMILESCOC[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C17H28N2O3/c1-13(11-20-4)18-15-7-6-14(10-16(15)21-5)19-8-9-22-17(2,3)12-19/h6-7,10,13,18H,8-9,11-12H2,1-5H3/t13-/m0/s1
InChIKeyOOAOLMDAOHJICO-ZDUSSCGKSA-N
MW308.42 g/mol
LogP2.76
Rot. Bonds6

About 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline

4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline (PubChem CID 99714151) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline
PubChem CID99714151
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline
SMILESCOC[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC
InChIInChI=1S/C17H28N2O3/c1-13(11-20-4)18-15-7-6-14(10-16(15)21-5)19-8-9-22-17(2,3)12-19/h6-7,10,13,18H,8-9,11-12H2,1-5H3/t13-/m0/s1
InChIKeyOOAOLMDAOHJICO-ZDUSSCGKSA-N
XLogP2.76
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline
CID 86796350
4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 86782715
4-(2,2-dimethylmorpholin-4-yl)-2-methoxyaniline
CID 63669991
N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine
CID 75440090
N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide
CID 126800410
4-[4-(bromomethyl)phenyl]-2,2-dimethylmorpholine
CID 107080567
4-[3-(difluoromethyl)-4-methylphenyl]-2,2-dimethylmorpholine;ethane
CID 143922330
2-(2-amino-3-methoxypropyl)-5-(2,2-dimethylmorpholin-4-yl)pyridazin-3-one
CID 107506459
N-[[4-(2,2-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62283828
6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine
CID 166829546
4-(2,2-dimethylmorpholin-4-yl)-2-(trifluoromethyl)aniline
CID 43592530
4-(2,2-dimethylmorpholin-4-yl)-2-methylbenzonitrile
CID 81282144

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline (CID 99714151) is 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline is COC[C@H](C)Nc1ccc(N2CCOC(C)(C)C2)cc1OC.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline?
The InChIKey is OOAOLMDAOHJICO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(11-20-4)18-15-7-6-14(10-16(15)21-5)19-8-9-22-17(2,3)12-19/h6-7,10,13,18H,8-9,11-12H2,1-5H3/t13-/m0/s1.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline?
4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline has a molecular weight of 308.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline is sourced from PubChem (CID 99714151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).