2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine

C13H22N2 — CID 28759347

IUPAC2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCN(CCc1ccccc1)C(C)(C)CN
InChIInChI=1S/C13H22N2/c1-13(2,11-14)15(3)10-9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3
InChIKeyJFKONFXSFLLMGU-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds5

About 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine

2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine (PubChem CID 28759347) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
PubChem CID28759347
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
SMILESCN(CCc1ccccc1)C(C)(C)CN
InChIInChI=1S/C13H22N2/c1-13(2,11-14)15(3)10-9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3
InChIKeyJFKONFXSFLLMGU-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
2-(2,2-dimethylpropyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 107473516
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
CID 65482929
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
1-(1-amino-2-methylpropan-2-yl)-3-methyl-1-naphthalen-1-yl-3-(2-phenylethyl)urea
CID 22744730
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
N,N-diamino-2-phenylethanamine
CID 18409381
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine (CID 28759347) is 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine is CN(CCc1ccccc1)C(C)(C)CN.
What is the InChIKey of 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine?
The InChIKey is JFKONFXSFLLMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,11-14)15(3)10-9-12-7-5-4-6-8-12/h4-8H,9-11,14H2,1-3H3.
What are the key properties of 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine?
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 28759347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).