N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C14H24N2O — CID 62542209

IUPACN-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)12-4-6-13(7-5-12)14(10-15)16-8-9-17-3/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyJYQGSLMUQRLRPC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds7

About N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 62542209) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID62542209
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)12-4-6-13(7-5-12)14(10-15)16-8-9-17-3/h4-7,11,14,16H,8-10,15H2,1-3H3
InChIKeyJYQGSLMUQRLRPC-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62542549
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986819
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
2-[4-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 113328532
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
1-(2,4-difluorophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62539902
2-(2-methoxyethylamino)-2-phenylethanol
CID 62544769
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 62542209) is N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is COCCNC(CN)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is JYQGSLMUQRLRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)12-4-6-13(7-5-12)14(10-15)16-8-9-17-3/h4-7,11,14,16H,8-10,15H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62542209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).