N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C16H26FN3 — CID 79303973

IUPACN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(F)cc1CN
InChIInChI=1S/C16H26FN3/c1-3-20-8-4-5-16(20)12-19(2)11-13-6-7-15(17)9-14(13)10-18/h6-7,9,16H,3-5,8,10-12,18H2,1-2H3
InChIKeyHATQEXMXLQTOPZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.20
Rot. Bonds6

About N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 79303973) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID79303973
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(F)cc1CN
InChIInChI=1S/C16H26FN3/c1-3-20-8-4-5-16(20)12-19(2)11-13-6-7-15(17)9-14(13)10-18/h6-7,9,16H,3-5,8,10-12,18H2,1-2H3
InChIKeyHATQEXMXLQTOPZ-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 79311848
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63289590
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 79303973) is N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)Cc1ccc(F)cc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is HATQEXMXLQTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-3-20-8-4-5-16(20)12-19(2)11-13-6-7-15(17)9-14(13)10-18/h6-7,9,16H,3-5,8,10-12,18H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79303973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).