N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

C14H23FN2 — CID 43566239

IUPACN',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-17(4-2)11-10-16-9-8-13-6-5-7-14(15)12-13/h5-7,12,16H,3-4,8-11H2,1-2H3
InChIKeyLPWUJZUXVUMEHI-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.30
Rot. Bonds8

About N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine (PubChem CID 43566239) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
PubChem CID43566239
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCCc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-17(4-2)11-10-16-9-8-13-6-5-7-14(15)12-13/h5-7,12,16H,3-4,8-11H2,1-2H3
InChIKeyLPWUJZUXVUMEHI-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.30
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',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
CID 104806276
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421
2-[ethyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008924
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine;hydroiodide
CID 111878070
N'-benzyl-N-[2-(diethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 62574688
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine (CID 43566239) is N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine is CCN(CC)CCNCCc1cccc(F)c1.
What is the InChIKey of N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
The InChIKey is LPWUJZUXVUMEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-17(4-2)11-10-16-9-8-13-6-5-7-14(15)12-13/h5-7,12,16H,3-4,8-11H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine?
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 43566239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).