N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine

C14H23FN2 — CID 107113089

IUPACN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CN)c1F
InChIInChI=1S/C14H23FN2/c1-4-11(2)9-17(3)10-13-7-5-6-12(8-16)14(13)15/h5-7,11H,4,8-10,16H2,1-3H3
InChIKeyCEEKVNXLCUALKI-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.76
Rot. Bonds6

About N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine

N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 107113089) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID107113089
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(CN)c1F
InChIInChI=1S/C14H23FN2/c1-4-11(2)9-17(3)10-13-7-5-6-12(8-16)14(13)15/h5-7,11H,4,8-10,16H2,1-3H3
InChIKeyCEEKVNXLCUALKI-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54971152
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 107113587
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389049
N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 107113377
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine (CID 107113089) is N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1cccc(CN)c1F.
What is the InChIKey of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is CEEKVNXLCUALKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-11(2)9-17(3)10-13-7-5-6-12(8-16)14(13)15/h5-7,11H,4,8-10,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine?
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 238.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 107113089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).