N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine

C24H43NO2 — CID 57298198

IUPACN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
SMILESCCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1
InChIInChI=1S/C24H43NO2/c1-3-4-5-6-7-8-9-10-11-15-20-27-22-19-25(18-21-26-2)23-24-16-13-12-14-17-24/h12-14,16-17H,3-11,15,18-23H2,1-2H3
InChIKeyIMLAJLDKEKRSJT-UHFFFAOYSA-N
MW377.61 g/mol
LogP6.07
Rot. Bonds19

About N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine

N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine (PubChem CID 57298198) has the molecular formula C24H43NO2 and a molecular weight of 377.61 g/mol. Its IUPAC name is N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
PubChem CID57298198
Molecular FormulaC24H43NO2
Molecular Weight377.61 g/mol
Exact Mass377.33
IUPAC NameN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine
SMILESCCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1
InChIInChI=1S/C24H43NO2/c1-3-4-5-6-7-8-9-10-11-15-20-27-22-19-25(18-21-26-2)23-24-16-13-12-14-17-24/h12-14,16-17H,3-11,15,18-23H2,1-2H3
InChIKeyIMLAJLDKEKRSJT-UHFFFAOYSA-N
XLogP6.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
CID 173426677
N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
CID 155672895
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
5-pentoxypentylbenzene
CID 19046566
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine?
The IUPAC name of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine (CID 57298198) is N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine.
What is the SMILES notation for N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine?
The canonical SMILES for N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine is CCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine?
The InChIKey is IMLAJLDKEKRSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2/c1-3-4-5-6-7-8-9-10-11-15-20-27-22-19-25(18-21-26-2)23-24-16-13-12-14-17-24/h12-14,16-17H,3-11,15,18-23H2,1-2H3.
What are the key properties of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine?
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine has a molecular weight of 377.61 g/mol, XLogP of 6.07, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine is sourced from PubChem (CID 57298198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).