(2R)-1-N-methyl-3-phenylpropane-1,2-diamine

C10H16N2 — CID 54262187

IUPAC(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H16N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8,11H2,1H3/t10-/m1/s1
InChIKeyREGVHZUNENZGJG-SNVBAGLBSA-N
MW164.25 g/mol
LogP0.78
Rot. Bonds4

About (2R)-1-N-methyl-3-phenylpropane-1,2-diamine

(2R)-1-N-methyl-3-phenylpropane-1,2-diamine (PubChem CID 54262187) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2R)-1-N-methyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
PubChem CID54262187
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](N)Cc1ccccc1
InChIInChI=1S/C10H16N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8,11H2,1H3/t10-/m1/s1
InChIKeyREGVHZUNENZGJG-SNVBAGLBSA-N
XLogP0.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
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N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
2-benzyl-N,4-dimethylpentan-1-amine
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λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727
(2S)-3-phenyl-1-N-(3,3,3-trifluoropropyl)propane-1,2-diamine
CID 112736688
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
ethene;3-phenylpropane-1,2-diamine
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1,4-diphenylbutan-2-amine
CID 60820174

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-methyl-3-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N-methyl-3-phenylpropane-1,2-diamine (CID 54262187) is (2R)-1-N-methyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-methyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N-methyl-3-phenylpropane-1,2-diamine is CNC[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-1-N-methyl-3-phenylpropane-1,2-diamine?
The InChIKey is REGVHZUNENZGJG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8,11H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-N-methyl-3-phenylpropane-1,2-diamine?
(2R)-1-N-methyl-3-phenylpropane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-methyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 54262187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).