N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine

C17H30N2O — CID 105350642

IUPACN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCN(C)CCOCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-17(2,3)18-11-10-15-6-8-16(9-7-15)14-20-13-12-19(4)5/h6-9,18H,10-14H2,1-5H3
InChIKeyCYWGTJWHZNKGNG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine

N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 105350642) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID105350642
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCN(C)CCOCc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-17(2,3)18-11-10-15-6-8-16(9-7-15)14-20-13-12-19(4)5/h6-9,18H,10-14H2,1-5H3
InChIKeyCYWGTJWHZNKGNG-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.70
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-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
2-methyl-N-[2-[4-(3-methylbut-3-enoxymethyl)phenyl]ethyl]propan-2-amine
CID 105351341
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62458634
N-[[2-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62460379
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine (CID 105350642) is N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine is CN(C)CCOCc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is CYWGTJWHZNKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-17(2,3)18-11-10-15-6-8-16(9-7-15)14-20-13-12-19(4)5/h6-9,18H,10-14H2,1-5H3.
What are the key properties of N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine?
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105350642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).