N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C13H19FN2O — CID 54809610

IUPACN'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESFc1ccccc1NCCNCC1CCCO1
InChIInChI=1S/C13H19FN2O/c14-12-5-1-2-6-13(12)16-8-7-15-10-11-4-3-9-17-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyOBFDUHZGDPQLTK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.01
Rot. Bonds6

About N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54809610) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54809610
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESFc1ccccc1NCCNCC1CCCO1
InChIInChI=1S/C13H19FN2O/c14-12-5-1-2-6-13(12)16-8-7-15-10-11-4-3-9-17-11/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyOBFDUHZGDPQLTK-UHFFFAOYSA-N
XLogP2.01
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
N'-(3-chloro-4-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54809567
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
2-N-(2-fluorophenyl)-4-N-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-diamine
CID 705353
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 107598059
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 54809610) is N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is Fc1ccccc1NCCNCC1CCCO1.
What is the InChIKey of N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is OBFDUHZGDPQLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-12-5-1-2-6-13(12)16-8-7-15-10-11-4-3-9-17-11/h1-2,5-6,11,15-16H,3-4,7-10H2.
What are the key properties of N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54809610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).