(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine

C13H22N2O2 — CID 125479389

IUPAC(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
SMILESCOCCN(C)[C@@H](CN)COc1ccccc1
InChIInChI=1S/C13H22N2O2/c1-15(8-9-16-2)12(10-14)11-17-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3/t12-/m0/s1
InChIKeyFVGSCHUSOQILAM-LBPRGKRZSA-N
MW238.33 g/mol
LogP0.97
Rot. Bonds8

About (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine

(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine (PubChem CID 125479389) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
PubChem CID125479389
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
SMILESCOCCN(C)[C@@H](CN)COc1ccccc1
InChIInChI=1S/C13H22N2O2/c1-15(8-9-16-2)12(10-14)11-17-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3/t12-/m0/s1
InChIKeyFVGSCHUSOQILAM-LBPRGKRZSA-N
XLogP0.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1-phenoxybutan-2-amine
CID 143240290
3-amino-2-[2-methoxyethyl(methyl)amino]propan-1-ol
CID 104710884
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
3-methoxy-2-(2-phenoxyethoxy)propan-1-amine
CID 103227846
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
(2R)-1-[2-methoxyethyl(2-methylpropyl)amino]-3-phenoxypropan-2-ol
CID 95285904
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
CID 3050418
(2R)-N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
CID 76964662
1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine?
The IUPAC name of (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine (CID 125479389) is (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine is COCCN(C)[C@@H](CN)COc1ccccc1.
What is the InChIKey of (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine?
The InChIKey is FVGSCHUSOQILAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(8-9-16-2)12(10-14)11-17-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine?
(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine is sourced from PubChem (CID 125479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).