N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

C15H25FN2 — CID 62558241

IUPACN-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCNc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(2)11-13(3)18(4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyBORXRMXTCMNYMM-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.60
Rot. Bonds7

About N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine

N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 62558241) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID62558241
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
SMILESCC(C)CC(C)N(C)CCNc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(2)11-13(3)18(4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyBORXRMXTCMNYMM-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N-(2-butan-2-yloxyethyl)-2-fluoroaniline
CID 62584548
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
2-N-(2-fluorophenyl)-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 19043346
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine (CID 62558241) is N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is CC(C)CC(C)N(C)CCNc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is BORXRMXTCMNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(2)11-13(3)18(4)10-9-17-15-8-6-5-7-14(15)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine?
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62558241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).