N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C14H21FN2O — CID 82836219

IUPACN-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)c2ccccc2F)O1
InChIInChI=1S/C14H21FN2O/c1-10-7-8-14(18-10)13(9-16)17(2)12-6-4-3-5-11(12)15/h3-6,10,13-14H,7-9,16H2,1-2H3
InChIKeyYXFWFKMURYOQCK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds4

About N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836219) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82836219
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)N(C)c2ccccc2F)O1
InChIInChI=1S/C14H21FN2O/c1-10-7-8-14(18-10)13(9-16)17(2)12-6-4-3-5-11(12)15/h3-6,10,13-14H,7-9,16H2,1-2H3
InChIKeyYXFWFKMURYOQCK-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2916846
N-(4-fluorophenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 2883343
1-(2,4-Difluorophenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 2956632
N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine
CID 75525398
N-[(oxolan-2-yl)methyl]aniline
CID 19811458
N'-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883794
N-(2-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 3226669
4-fluoro-N-{2-[(2-methoxyethyl)amino]ethyl}aniline
CID 50988387
1-(1-Anilinopropan-2-yl)-3-(oxolan-2-ylmethyl)urea
CID 71852786
N-methyl-2-[1-(oxolan-2-yl)ethylamino]-N-phenylacetamide
CID 86789598
1-(2,4-Difluorophenyl)-3-(methoxymethyl)piperazine
CID 20785247
4-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 43179932

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82836219) is N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)N(C)c2ccccc2F)O1.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is YXFWFKMURYOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-7-8-14(18-10)13(9-16)17(2)12-6-4-3-5-11(12)15/h3-6,10,13-14H,7-9,16H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).