N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline

C17H27FN2 — CID 64762927

IUPACN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
SMILESCCN(c1cccc(F)c1)C1(CN)CCCC(C)C1C
InChIInChI=1S/C17H27FN2/c1-4-20(16-9-5-8-15(18)11-16)17(12-19)10-6-7-13(2)14(17)3/h5,8-9,11,13-14H,4,6-7,10,12,19H2,1-3H3
InChIKeyHRYWERMZLTUOJF-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline

N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline (PubChem CID 64762927) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
PubChem CID64762927
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
SMILESCCN(c1cccc(F)c1)C1(CN)CCCC(C)C1C
InChIInChI=1S/C17H27FN2/c1-4-20(16-9-5-8-15(18)11-16)17(12-19)10-6-7-13(2)14(17)3/h5,8-9,11,13-14H,4,6-7,10,12,19H2,1-3H3
InChIKeyHRYWERMZLTUOJF-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline (CID 64762927) is N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline is CCN(c1cccc(F)c1)C1(CN)CCCC(C)C1C.
What is the InChIKey of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline?
The InChIKey is HRYWERMZLTUOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-4-20(16-9-5-8-15(18)11-16)17(12-19)10-6-7-13(2)14(17)3/h5,8-9,11,13-14H,4,6-7,10,12,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline?
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline has a molecular weight of 278.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 64762927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).