N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine

C17H30N2O2 — CID 82940241

IUPACN,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CNC)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15-18-3)16-9-7-6-8-10-16/h6-10,17-18H,4-5,11-15H2,1-3H3
InChIKeyBLMUJKOTWLGDAO-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.32
Rot. Bonds12

About N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine

N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine (PubChem CID 82940241) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
PubChem CID82940241
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
SMILESCCOCCN(CCOCC)C(CNC)c1ccccc1
InChIInChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15-18-3)16-9-7-6-8-10-16/h6-10,17-18H,4-5,11-15H2,1-3H3
InChIKeyBLMUJKOTWLGDAO-UHFFFAOYSA-N
XLogP2.32
TPSA33.73 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 ≤ 52.32
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

N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
CID 63695799
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
1-(4-chlorophenyl)-N,N-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82959955
1-[2-(diethylamino)-2-phenylethyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111010701
3-bromo-N-(2-ethoxyethyl)-N-ethyl-2-phenylpropan-1-amine
CID 65015028

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine (CID 82940241) is N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine is CCOCCN(CCOCC)C(CNC)c1ccccc1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine?
The InChIKey is BLMUJKOTWLGDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-20-13-11-19(12-14-21-5-2)17(15-18-3)16-9-7-6-8-10-16/h6-10,17-18H,4-5,11-15H2,1-3H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine?
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.32, 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)-N'-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 82940241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).