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

C18H32N2O — CID 62844664

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
SMILESCCCCCC(NCCN(C)CCOC)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-4-5-7-12-18(17-10-8-6-9-11-17)19-13-14-20(2)15-16-21-3/h6,8-11,18-19H,4-5,7,12-16H2,1-3H3
InChIKeyTYTLLKGUHZDQHV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.48
Rot. Bonds12

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

N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine (PubChem CID 62844664) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
PubChem CID62844664
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
SMILESCCCCCC(NCCN(C)CCOC)c1ccccc1
InChIInChI=1S/C18H32N2O/c1-4-5-7-12-18(17-10-8-6-9-11-17)19-13-14-20(2)15-16-21-3/h6,8-11,18-19H,4-5,7,12-16H2,1-3H3
InChIKeyTYTLLKGUHZDQHV-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.48
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-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N'-(3-methoxypropyl)-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63008472
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
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
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-(1-phenylpentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757523
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine (CID 62844664) is N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine is CCCCCC(NCCN(C)CCOC)c1ccccc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine?
The InChIKey is TYTLLKGUHZDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-5-7-12-18(17-10-8-6-9-11-17)19-13-14-20(2)15-16-21-3/h6,8-11,18-19H,4-5,7,12-16H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.48, 12 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-phenylhexyl)ethane-1,2-diamine is sourced from PubChem (CID 62844664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).