N',N'-diethyl-2-phenylpropane-1,3-diamine

C13H22N2 — CID 43532107

IUPACN',N'-diethyl-2-phenylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-13(10-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
InChIKeyPOTPGKOAPKUXMX-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.07
Rot. Bonds6

About N',N'-diethyl-2-phenylpropane-1,3-diamine

N',N'-diethyl-2-phenylpropane-1,3-diamine (PubChem CID 43532107) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N',N'-diethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-2-phenylpropane-1,3-diamine
PubChem CID43532107
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN',N'-diethyl-2-phenylpropane-1,3-diamine
SMILESCCN(CC)CC(CN)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-15(4-2)11-13(10-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
InChIKeyPOTPGKOAPKUXMX-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
CID 82107787
2-(2,6-dimethylphenyl)-N',N'-diethylpropane-1,3-diamine
CID 82107513
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 61242461
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
2-phenylpentan-1-amine
CID 14321247
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
5-ethyl-2-phenylheptan-1-amine
CID 82935011
N'-butyl-N'-cyclopropyl-2-phenylpropane-1,3-diamine
CID 61440470
2-phenylbutane-1,4-diamine
CID 16770348
1-[(3-bromo-2-phenylpropyl)-ethylamino]-2-methylpropan-2-ol
CID 79389825

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-2-phenylpropane-1,3-diamine (CID 43532107) is N',N'-diethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-2-phenylpropane-1,3-diamine is CCN(CC)CC(CN)c1ccccc1.
What is the InChIKey of N',N'-diethyl-2-phenylpropane-1,3-diamine?
The InChIKey is POTPGKOAPKUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-15(4-2)11-13(10-14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3.
What are the key properties of N',N'-diethyl-2-phenylpropane-1,3-diamine?
N',N'-diethyl-2-phenylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 43532107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).