N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine

C14H24N2O — CID 79479672

IUPACN-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
SMILESCC(C)N(CCOCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(2)16(9-11-17-10-8-15)12-14-6-4-3-5-7-14/h3-7,13H,8-12,15H2,1-2H3
InChIKeyXEBBMLRWJVEOPK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds8

About N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine

N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine (PubChem CID 79479672) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
PubChem CID79479672
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
SMILESCC(C)N(CCOCCN)Cc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(2)16(9-11-17-10-8-15)12-14-6-4-3-5-7-14/h3-7,13H,8-12,15H2,1-2H3
InChIKeyXEBBMLRWJVEOPK-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
CID 114276433
N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
2-[2-[(4-aminophenyl)methyl-propan-2-ylamino]ethoxy]ethanol
CID 61071266
N-[2-(2-aminoethoxy)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 79478830
2-[2-[propan-2-yl(pyridin-4-ylmethyl)amino]ethoxy]ethanol
CID 114274418
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 130537232
2-[2-phenylmethoxyethyl(propan-2-yl)amino]ethanol
CID 130537128
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
3-N-methyl-3-N-(2-phenylmethoxyethyl)butane-1,3-diamine
CID 130536772
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine (CID 79479672) is N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine is CC(C)N(CCOCCN)Cc1ccccc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine?
The InChIKey is XEBBMLRWJVEOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)16(9-11-17-10-8-15)12-14-6-4-3-5-7-14/h3-7,13H,8-12,15H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine?
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine is sourced from PubChem (CID 79479672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).