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

C14H23FN2 — CID 114058268

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CC(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(2)8-9-17(3)10-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyRXNKUVBLZUSPIG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.80
Rot. Bonds6

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

1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (PubChem CID 114058268) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
PubChem CID114058268
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CC(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-11(2)8-9-17(3)10-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3
InChIKeyRXNKUVBLZUSPIG-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine (CID 114058268) is 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is CC(C)CCN(C)CC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
The InChIKey is RXNKUVBLZUSPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)8-9-17(3)10-14(16)12-6-4-5-7-13(12)15/h4-7,11,14H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 114058268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).