N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine

C17H30N2O2 — CID 82942072

IUPACN',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
SMILESCCOCCN(CCOCC)CCC(N)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-3-20-14-12-19(13-15-21-4-2)11-10-17(18)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,18H2,1-2H3
InChIKeyZOLIXVBGJUUMBV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.45
Rot. Bonds12

About N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine

N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine (PubChem CID 82942072) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
PubChem CID82942072
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
SMILESCCOCCN(CCOCC)CCC(N)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-3-20-14-12-19(13-15-21-4-2)11-10-17(18)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,18H2,1-2H3
InChIKeyZOLIXVBGJUUMBV-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
4-amino-N-(2-ethoxyethyl)-N-ethyl-4-phenylbutanamide
CID 63691274
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
4-butoxy-1-phenylbutan-1-amine
CID 61483795
N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82951855
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine (CID 82942072) is N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine is CCOCCN(CCOCC)CCC(N)c1ccccc1.
What is the InChIKey of N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine?
The InChIKey is ZOLIXVBGJUUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-20-14-12-19(13-15-21-4-2)11-10-17(18)16-8-6-5-7-9-16/h5-9,17H,3-4,10-15,18H2,1-2H3.
What are the key properties of N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine?
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 82942072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).