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

C13H22N2 — CID 16784984

IUPAC2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
SMILESCCN(CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)11(3)13(14)12-9-7-6-8-10-12/h6-11,13H,4-5,14H2,1-3H3
InChIKeyRKJQMPORTLGPSN-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.42
Rot. Bonds5

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

2-N,2-N-diethyl-1-phenylpropane-1,2-diamine (PubChem CID 16784984) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
PubChem CID16784984
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
SMILESCCN(CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)11(3)13(14)12-9-7-6-8-10-12/h6-11,13H,4-5,14H2,1-3H3
InChIKeyRKJQMPORTLGPSN-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 61377500
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684
(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 30815552
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine (CID 16784984) is 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine is CCN(CC)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine?
The InChIKey is RKJQMPORTLGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(5-2)11(3)13(14)12-9-7-6-8-10-12/h6-11,13H,4-5,14H2,1-3H3.
What are the key properties of 2-N,2-N-diethyl-1-phenylpropane-1,2-diamine?
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.42, 5 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-phenylpropane-1,2-diamine is sourced from PubChem (CID 16784984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).