N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine

C12H21FN2 — CID 143181566

IUPACN'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)C1C(F)=CC=CC1C
InChIInChI=1S/C12H21FN2/c1-4-15(9-8-14-3)12-10(2)6-5-7-11(12)13/h5-7,10,12,14H,4,8-9H2,1-3H3
InChIKeyMNIFHNRRGPWQMY-UHFFFAOYSA-N
MW212.31 g/mol
LogP1.96
Rot. Bonds5

About N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine

N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine (PubChem CID 143181566) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine
PubChem CID143181566
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC NameN'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine
SMILESCCN(CCNC)C1C(F)=CC=CC1C
InChIInChI=1S/C12H21FN2/c1-4-15(9-8-14-3)12-10(2)6-5-7-11(12)13/h5-7,10,12,14H,4,8-9H2,1-3H3
InChIKeyMNIFHNRRGPWQMY-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine (CID 143181566) is N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine is CCN(CCNC)C1C(F)=CC=CC1C.
What is the InChIKey of N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine?
The InChIKey is MNIFHNRRGPWQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2/c1-4-15(9-8-14-3)12-10(2)6-5-7-11(12)13/h5-7,10,12,14H,4,8-9H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine?
N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine has a molecular weight of 212.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 143181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).