N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine

C16H28N2O — CID 62844460

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
SMILESCCCC(NCCN(C)CCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-8-16(15-9-6-5-7-10-15)17-11-12-18(2)13-14-19-3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3
InChIKeyCOFXOTUJGJSBJL-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.70
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine (PubChem CID 62844460) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
PubChem CID62844460
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
SMILESCCCC(NCCN(C)CCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-4-8-16(15-9-6-5-7-10-15)17-11-12-18(2)13-14-19-3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3
InChIKeyCOFXOTUJGJSBJL-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
1-(4-bromophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62617256
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008
1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62624520
2-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]propyl]phenol
CID 62844463
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine (CID 62844460) is N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine is CCCC(NCCN(C)CCOC)c1ccccc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine?
The InChIKey is COFXOTUJGJSBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-8-16(15-9-6-5-7-10-15)17-11-12-18(2)13-14-19-3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62844460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).