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

C17H30N2O2 — CID 82960381

IUPAC1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
SMILESCCOCCN(CCOCC)C(c1ccccc1)C(C)N
InChIInChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15(3)18)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14,18H2,1-3H3
InChIKeyRDVZPMZZRXFYNZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.45
Rot. Bonds11

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

1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine (PubChem CID 82960381) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
PubChem CID82960381
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
SMILESCCOCCN(CCOCC)C(c1ccccc1)C(C)N
InChIInChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15(3)18)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14,18H2,1-3H3
InChIKeyRDVZPMZZRXFYNZ-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
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-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
CID 82960632
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241
N,N,N',N'-tetrakis(2-methoxyethyl)-1,2-diphenylethane-1,2-diamine
CID 613655
N',N'-bis(2-ethoxyethyl)-1-phenylpropane-1,3-diamine
CID 82942072
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-2-phenylacetamide
CID 63692706
3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
CID 63695799
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
1-(4-chlorophenyl)-1-N-(2-ethoxyethyl)-1-N-ethylbutane-1,2-diamine
CID 63696821

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine (CID 82960381) is 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine is CCOCCN(CCOCC)C(c1ccccc1)C(C)N.
What is the InChIKey of 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine?
The InChIKey is RDVZPMZZRXFYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15(3)18)16-9-7-6-8-10-16/h6-10,15,17H,4-5,11-14,18H2,1-3H3.
What are the key properties of 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine?
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 82960381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).