2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline

C13H21FN2 — CID 79515809

IUPAC2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1cccc(F)c1CN
InChIInChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-7-5-6-12(14)11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyPVRBZKYJGXOLEZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.77
Rot. Bonds5

About 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline

2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline (PubChem CID 79515809) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
PubChem CID79515809
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(C)c1cccc(F)c1CN
InChIInChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-7-5-6-12(14)11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyPVRBZKYJGXOLEZ-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 79513049
2-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 56604751
2-(aminomethyl)-3-fluoro-N-methyl-N-(3-phenylpropyl)aniline
CID 79515815
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline (CID 79515809) is 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline is CCC(C)CN(C)c1cccc(F)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline?
The InChIKey is PVRBZKYJGXOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-10(2)9-16(3)13-7-5-6-12(14)11(13)8-15/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline?
2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline has a molecular weight of 224.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 79515809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).