(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine

C12H20N2O — CID 104868300

IUPAC(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
SMILESCCOc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C12H20N2O/c1-3-15-12-7-5-4-6-11(12)9-14-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3/t10-/m1/s1
InChIKeyRQJWFXXIKATAJL-SNVBAGLBSA-N
MW208.31 g/mol
LogP1.52
Rot. Bonds6

About (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine (PubChem CID 104868300) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
PubChem CID104868300
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
SMILESCCOc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C12H20N2O/c1-3-15-12-7-5-4-6-11(12)9-14-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3/t10-/m1/s1
InChIKeyRQJWFXXIKATAJL-SNVBAGLBSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439
N-[(2-ethoxyphenyl)methyl]pentan-2-amine
CID 43177718
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
N-[(2-ethoxyphenyl)methyl]-3-ethylpentan-2-amine
CID 63843803
(1S)-N-[(2-ethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652621
(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977
(2S)-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703552
(2R)-2-N-[(3,4,5-triethoxyphenyl)methyl]propane-1,2-diamine
CID 104868075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine (CID 104868300) is (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine is CCOc1ccccc1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine?
The InChIKey is RQJWFXXIKATAJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-12-7-5-4-6-11(12)9-14-10(2)8-13/h4-7,10,14H,3,8-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).