N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine

C15H25FN2O — CID 62555568

IUPACN-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCCCOCCNCCN(C)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-4-12-19-13-10-17-9-11-18(2)15-7-5-14(16)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyYITIYOLWAKZACO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.67
Rot. Bonds10

About N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine

N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 62555568) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID62555568
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCCCCOCCNCCN(C)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-4-12-19-13-10-17-9-11-18(2)15-7-5-14(16)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3
InChIKeyYITIYOLWAKZACO-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.67
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-butoxyethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 55090228
N-butyl-4-fluoro-N-methylaniline
CID 70573878
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
N-(3,3-dimethylbutyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555230
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
N'-(4-fluorophenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63503917
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N',N'-dimethyl-N-(2-pentoxyethyl)ethane-1,2-diamine
CID 62584513
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 62555568) is N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CCCCOCCNCCN(C)c1ccc(F)cc1.
What is the InChIKey of N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is YITIYOLWAKZACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-3-4-12-19-13-10-17-9-11-18(2)15-7-5-14(16)6-8-15/h5-8,17H,3-4,9-13H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62555568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).