N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

C14H23FN2O — CID 62555031

IUPACN'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-3-17(11-10-16-9-4-12-18-2)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyPWBQMDRODYMHGF-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.28
Rot. Bonds9

About N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 62555031) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID62555031
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)c1ccc(F)cc1
InChIInChI=1S/C14H23FN2O/c1-3-17(11-10-16-9-4-12-18-2)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyPWBQMDRODYMHGF-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.28
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-(N-ethyl-4-fluoroanilino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554048
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62561630
N,N-diethyl-4-fluoroaniline
CID 592416
4-N,4-N-diethyl-1-N-[2-(3-methoxypropoxy)ethyl]benzene-1,4-diamine
CID 103178991
N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
CID 55089579
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
N-(9-bromononyl)-N-ethyl-4-fluoroaniline
CID 105343736

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 62555031) is N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is CCN(CCNCCCOC)c1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is PWBQMDRODYMHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-3-17(11-10-16-9-4-12-18-2)14-7-5-13(15)6-8-14/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 62555031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).