N',N'-dimethyl-1-phenylethane-1,2-diamine

C10H16N2 — CID 3158584

IUPACN',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKeyNPGAXSHDDOESHB-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.25
Rot. Bonds3

About N',N'-dimethyl-1-phenylethane-1,2-diamine

N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 3158584) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID3158584
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCN(C)CC(N)c1ccccc1
InChIInChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKeyNPGAXSHDDOESHB-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 3158584) is N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenylethane-1,2-diamine is CN(C)CC(N)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is NPGAXSHDDOESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-phenylethane-1,2-diamine?
N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 3158584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).