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

C11H18N2O — CID 104867958

IUPAC(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
SMILESCOc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2O/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyNZBDGGNHTYAPOU-SECBINFHSA-N
MW194.28 g/mol
LogP1.13
Rot. Bonds5

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

(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine (PubChem CID 104867958) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
PubChem CID104867958
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
SMILESCOc1ccccc1CN[C@H](C)CN
InChIInChI=1S/C11H18N2O/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1
InChIKeyNZBDGGNHTYAPOU-SECBINFHSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[(2-ethoxyphenyl)methyl]propane-1,2-diamine
CID 104868300
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
3-N-[(2-methoxyphenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963960
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
(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
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
methyl (2S,3S)-3-hydroxy-2-[(2-methoxyphenyl)methylamino]butanoate
CID 99791945
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine (CID 104867958) is (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine is COc1ccccc1CN[C@H](C)CN.
What is the InChIKey of (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine?
The InChIKey is NZBDGGNHTYAPOU-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(7-12)13-8-10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).