N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

C14H21FN2 — CID 64768719

IUPACN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2/c1-10-5-12(10)8-17(2)9-13-6-14(15)4-3-11(13)7-16/h3-4,6,10,12H,5,7-9,16H2,1-2H3
InChIKeyIPRWTFYPGQTOBH-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 64768719) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID64768719
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C14H21FN2/c1-10-5-12(10)8-17(2)9-13-6-14(15)4-3-11(13)7-16/h3-4,6,10,12H,5,7-9,16H2,1-2H3
InChIKeyIPRWTFYPGQTOBH-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]aniline
CID 63878885
3-[5-fluoro-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]prop-2-yn-1-amine
CID 63865908
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 114011973
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 64770083
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
[3-fluoro-4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]boronic acid
CID 63865557
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 64768719) is N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is CC1CC1CN(C)Cc1cc(F)ccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is IPRWTFYPGQTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-5-12(10)8-17(2)9-13-6-14(15)4-3-11(13)7-16/h3-4,6,10,12H,5,7-9,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine?
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 64768719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).