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

C24H44ClNO2 — CID 173426677

IUPACN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
SMILESCCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1.Cl
InChIInChI=1S/C24H43NO2.ClH/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;1H
InChIKeyBNDKCYQFTALGET-UHFFFAOYSA-N
MW414.07 g/mol
LogP6.49
Rot. Bonds19

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

N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride (PubChem CID 173426677) has the molecular formula C24H44ClNO2 and a molecular weight of 414.07 g/mol. Its IUPAC name is N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
PubChem CID173426677
Molecular FormulaC24H44ClNO2
Molecular Weight414.07 g/mol
Exact Mass413.31
IUPAC NameN-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride
SMILESCCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1.Cl
InChIInChI=1S/C24H43NO2.ClH/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;1H
InChIKeyBNDKCYQFTALGET-UHFFFAOYSA-N
XLogP6.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.07
LogP ≤ 56.49
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
CID 57298198
N-benzyl-10-ethoxy-N-(8-ethoxyoctyl)decan-1-amine
CID 155672895
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
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
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;hydrochloride?
The IUPAC name of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride (CID 173426677) is N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride is CCCCCCCCCCCCOCCN(CCOC)Cc1ccccc1.Cl.
What is the InChIKey of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride?
The InChIKey is BNDKCYQFTALGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2.ClH/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;1H.
What are the key properties of N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride?
N-benzyl-N-(2-dodecoxyethyl)-2-methoxyethanamine;hydrochloride has a molecular weight of 414.07 g/mol, XLogP of 6.49, 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;hydrochloride is sourced from PubChem (CID 173426677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).