(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine

C10H16N2 — CID 22689433

IUPAC(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)c1ccccc1
InChIInChI=1S/C10H16N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8,11H2,1-2H3/t9-/m0/s1
InChIKeyOGUIAFAIFGRUDY-VIFPVBQESA-N
MW164.25 g/mol
LogP1.47
Rot. Bonds3

About (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine

(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine (PubChem CID 22689433) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
PubChem CID22689433
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
SMILESC[C@H](N)CN(C)c1ccccc1
InChIInChI=1S/C10H16N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8,11H2,1-2H3/t9-/m0/s1
InChIKeyOGUIAFAIFGRUDY-VIFPVBQESA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-N-methyl-1-N-(4-methylphenyl)propane-1,2-diamine
CID 28772456
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
(2S)-1-N-methyl-4-methylsulfanyl-1-N-phenylbutane-1,2-diamine
CID 22689710
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
1-N-methyl-1-N-(6-phenylpyridazin-3-yl)propane-1,2-diamine
CID 116973321
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine (CID 22689433) is (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine is C[C@H](N)CN(C)c1ccccc1.
What is the InChIKey of (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is OGUIAFAIFGRUDY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine?
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 22689433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).