N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline

C16H25FN2 — CID 79848165

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
SMILESCN(c1cccc(F)c1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H25FN2/c1-15(2)9-4-5-10-16(15,12-18)19(3)14-8-6-7-13(17)11-14/h6-8,11H,4-5,9-10,12,18H2,1-3H3
InChIKeyXMIVZQNXAALJTQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline (PubChem CID 79848165) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
PubChem CID79848165
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
SMILESCN(c1cccc(F)c1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H25FN2/c1-15(2)9-4-5-10-16(15,12-18)19(3)14-8-6-7-13(17)11-14/h6-8,11H,4-5,9-10,12,18H2,1-3H3
InChIKeyXMIVZQNXAALJTQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline (CID 79848165) is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline is CN(c1cccc(F)c1)C1(CN)CCCCC1(C)C.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The InChIKey is XMIVZQNXAALJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-15(2)9-4-5-10-16(15,12-18)19(3)14-8-6-7-13(17)11-14/h6-8,11H,4-5,9-10,12,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 79848165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).