4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

C14H23FN2 — CID 113295417

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H23FN2/c1-10(2)7-11(3)17(4)13-6-5-12(9-16)14(15)8-13/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyKJNMTASXGAGHSS-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.16
Rot. Bonds5

About 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 113295417) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID113295417
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H23FN2/c1-10(2)7-11(3)17(4)13-6-5-12(9-16)14(15)8-13/h5-6,8,10-11H,7,9,16H2,1-4H3
InChIKeyKJNMTASXGAGHSS-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 113295417) is 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)N(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is KJNMTASXGAGHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(2)7-11(3)17(4)13-6-5-12(9-16)14(15)8-13/h5-6,8,10-11H,7,9,16H2,1-4H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 238.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 113295417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).