1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

C14H21FN2O — CID 107521878

IUPAC1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)CC(N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-14(6-7-18-10)17(2)9-13(16)11-4-3-5-12(15)8-11/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3
InChIKeyLECMCSBYBZSXID-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.93
Rot. Bonds4

About 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine

1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 107521878) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
PubChem CID107521878
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1OCCC1N(C)CC(N)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10-14(6-7-18-10)17(2)9-13(16)11-4-3-5-12(15)8-11/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3
InChIKeyLECMCSBYBZSXID-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-1-N-methyl-1-N-(2-methyloxolan-3-yl)butane-1,2-diamine
CID 82732670
N'-methyl-N'-(2-methyloxolan-3-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107521887
1-(3-aminophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 82732340
1-(3-fluorophenyl)-N'-methyl-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 107521307
N-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754893
N'-methyl-N'-(2-methyloxolan-3-yl)-2-phenylpropane-1,3-diamine
CID 82733792
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 107521321
3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropane-1-thiol
CID 82745986
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739979
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine (CID 107521878) is 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is CC1OCCC1N(C)CC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is LECMCSBYBZSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-14(6-7-18-10)17(2)9-13(16)11-4-3-5-12(15)8-11/h3-5,8,10,13-14H,6-7,9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine?
1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 252.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107521878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).