2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine

C15H26N2 — CID 79056403

IUPAC2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15(3,4)14(16-5)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3
InChIKeyPCEVMMNWSOOAGY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds6

About 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine

2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine (PubChem CID 79056403) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
PubChem CID79056403
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)C(NC)c1ccccc1
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15(3,4)14(16-5)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3
InChIKeyPCEVMMNWSOOAGY-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79056752
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
2-N,2-N-diethyl-1-N,2-dimethyl-1-(3-propylphenyl)propane-1,2-diamine
CID 116544650
2-N,2-N-diethyl-1-N,2-dimethyl-1-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 79047766
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
CID 115374759
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 63195623
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine (CID 79056403) is 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine is CCN(CC)C(C)(C)C(NC)c1ccccc1.
What is the InChIKey of 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine?
The InChIKey is PCEVMMNWSOOAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)15(3,4)14(16-5)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3.
What are the key properties of 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine?
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 79056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).