2-[benzyl(nonyl)amino]ethanol

C18H31NO — CID 63469962

IUPAC2-[benzyl(nonyl)amino]ethanol
SMILESCCCCCCCCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-11-14-19(15-16-20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyGCZSJQLMVLUQHL-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.23
Rot. Bonds12

About 2-[benzyl(nonyl)amino]ethanol

2-[benzyl(nonyl)amino]ethanol (PubChem CID 63469962) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-[benzyl(nonyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(nonyl)amino]ethanol
PubChem CID63469962
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-[benzyl(nonyl)amino]ethanol
SMILESCCCCCCCCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H31NO/c1-2-3-4-5-6-7-11-14-19(15-16-20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyGCZSJQLMVLUQHL-UHFFFAOYSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
2-[benzyl(octadecyl)amino]ethanol;2-(trimethylazaniumyl)ethyl hydrogen phosphate
CID 172831163
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(nonyl)amino]ethanol?
The IUPAC name of 2-[benzyl(nonyl)amino]ethanol (CID 63469962) is 2-[benzyl(nonyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(nonyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(nonyl)amino]ethanol is CCCCCCCCCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(nonyl)amino]ethanol?
The InChIKey is GCZSJQLMVLUQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-3-4-5-6-7-11-14-19(15-16-20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3.
What are the key properties of 2-[benzyl(nonyl)amino]ethanol?
2-[benzyl(nonyl)amino]ethanol has a molecular weight of 277.45 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(nonyl)amino]ethanol is sourced from PubChem (CID 63469962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).