(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine

C20H28N2O — CID 102413665

IUPAC(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine
SMILESCOC[C@@H](CNCc1ccccc1)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-17(19-12-8-5-9-13-19)22(2)20(16-23-3)15-21-14-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-/m1/s1
InChIKeySEBHSTVRRPNZKB-YLJYHZDGSA-N
MW312.46 g/mol
LogP3.48
Rot. Bonds9

About (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine

(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine (PubChem CID 102413665) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine
PubChem CID102413665
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine
SMILESCOC[C@@H](CNCc1ccccc1)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-17(19-12-8-5-9-13-19)22(2)20(16-23-3)15-21-14-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-/m1/s1
InChIKeySEBHSTVRRPNZKB-YLJYHZDGSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine with MolForge

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Related Compounds

N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
N-benzyl-2-methoxypropan-1-amine
CID 58887986
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
CID 22026275
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-phenylbutan-1-amine
CID 60658494
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
N-benzyl-5-bromo-2-methylpentan-1-amine
CID 130757770

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine?
The IUPAC name of (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine (CID 102413665) is (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine is COC[C@@H](CNCc1ccccc1)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine?
The InChIKey is SEBHSTVRRPNZKB-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H28N2O/c1-17(19-12-8-5-9-13-19)22(2)20(16-23-3)15-21-14-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine?
(2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-benzyl-3-methoxy-2-N-methyl-2-N-[(1R)-1-phenylethyl]propane-1,2-diamine is sourced from PubChem (CID 102413665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).