N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C18H32N2O — CID 107094093

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCOCCN(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-12-21-13-11-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyTYDUROOLMPNTMT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.11
Rot. Bonds10

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 107094093) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID107094093
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCCOCCN(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-12-21-13-11-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyTYDUROOLMPNTMT-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.11
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-(dimethylamino)ethoxy]ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 107094233
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107094213
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(3,5-dimethylphenyl)ethanamine
CID 107094322
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
1-(3-bromo-4-methoxyphenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]ethanamine
CID 107094299
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
3-[1-[2-[2-(dimethylamino)ethoxy]ethylamino]ethyl]benzonitrile
CID 107094098
N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 62341832
1-methoxy-4-[1-[4-(2-methylpropyl)phenyl]ethylamino]butan-2-ol
CID 103906000
O-[2-(dimethylamino)ethyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanethioate
CID 87581170
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 107094093) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCCOCCN(C)C)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is TYDUROOLMPNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15(2)14-17-6-8-18(9-7-17)16(3)19-10-12-21-13-11-20(4)5/h6-9,15-16,19H,10-14H2,1-5H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 292.47 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 107094093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).