N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine

C14H21FN2 — CID 62560256

IUPACN'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)CCNc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(12-7-8-12)17(2)10-9-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyAJEHIOHOQPNWMU-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.97
Rot. Bonds6

About N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine

N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 62560256) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID62560256
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)CCNc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(12-7-8-12)17(2)10-9-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyAJEHIOHOQPNWMU-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine (CID 62560256) is N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is CC(C1CC1)N(C)CCNc1ccccc1F.
What is the InChIKey of N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is AJEHIOHOQPNWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(12-7-8-12)17(2)10-9-16-14-6-4-3-5-13(14)15/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62560256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).