N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine

C14H23FN2 — CID 107878479

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H23FN2/c1-5-14(2,3)17(4)10-11-6-7-13(15)12(8-11)9-16/h6-8H,5,9-10,16H2,1-4H3
InChIKeyDBJWAMPAXOJSIQ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.90
Rot. Bonds5

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 107878479) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID107878479
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C14H23FN2/c1-5-14(2,3)17(4)10-11-6-7-13(15)12(8-11)9-16/h6-8H,5,9-10,16H2,1-4H3
InChIKeyDBJWAMPAXOJSIQ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
[2-fluoro-5-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 114011948
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine (CID 107878479) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)Cc1ccc(F)c(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is DBJWAMPAXOJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-14(2,3)17(4)10-11-6-7-13(15)12(8-11)9-16/h6-8H,5,9-10,16H2,1-4H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 238.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 107878479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).