N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine

C14H23FN2O — CID 81059488

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1ccc(CN)cc1F
InChIInChI=1S/C14H23FN2O/c1-11(2)18-7-6-17(3)10-13-5-4-12(9-16)8-14(13)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyZBSGPBLDLPEJDP-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.14
Rot. Bonds7

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 81059488) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
PubChem CID81059488
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
SMILESCC(C)OCCN(C)Cc1ccc(CN)cc1F
InChIInChI=1S/C14H23FN2O/c1-11(2)18-7-6-17(3)10-13-5-4-12(9-16)8-14(13)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyZBSGPBLDLPEJDP-UHFFFAOYSA-N
XLogP2.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine 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

3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059577
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
5-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81055796
[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 61421488
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine (CID 81059488) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine is CC(C)OCCN(C)Cc1ccc(CN)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is ZBSGPBLDLPEJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(2)18-7-6-17(3)10-13-5-4-12(9-16)8-14(13)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 254.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 81059488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).