N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline

C14H21FN2 — CID 65045051

IUPACN-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
SMILESCC1CCCC1(CN)N(C)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11-6-5-9-14(11,10-16)17(2)13-8-4-3-7-12(13)15/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyIEWQOZJCHJDMHV-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline

N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline (PubChem CID 65045051) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
PubChem CID65045051
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
SMILESCC1CCCC1(CN)N(C)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11-6-5-9-14(11,10-16)17(2)13-8-4-3-7-12(13)15/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3
InChIKeyIEWQOZJCHJDMHV-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
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-methylcyclopentyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline (CID 65045051) is N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline is CC1CCCC1(CN)N(C)c1ccccc1F.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline?
The InChIKey is IEWQOZJCHJDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-6-5-9-14(11,10-16)17(2)13-8-4-3-7-12(13)15/h3-4,7-8,11H,5-6,9-10,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline?
N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.78, 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-methylcyclopentyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 65045051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).