N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

C14H23FN2 — CID 55089691

IUPACN-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1F)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-10-17(12(2)3)11-9-16-14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyZNENMGXXWILACM-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.36
Rot. Bonds7

About N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine

N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 55089691) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID55089691
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1F)C(C)C
InChIInChI=1S/C14H23FN2/c1-4-10-17(12(2)3)11-9-16-14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyZNENMGXXWILACM-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
2-fluoro-N-[2-(2-methylbutylsulfonyl)ethyl]aniline
CID 107757559
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N-(2-butan-2-yloxyethyl)-2-fluoroaniline
CID 62584548
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63504287
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 55089691) is N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CCNc1ccccc1F)C(C)C.
What is the InChIKey of N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is ZNENMGXXWILACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-10-17(12(2)3)11-9-16-14-8-6-5-7-13(14)15/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 3.36, 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'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 55089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).