N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine

C12H19FN2 — CID 43270934

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2/c1-3-6-15(2)9-11-5-4-10(8-14)7-12(11)13/h4-5,7H,3,6,8-9,14H2,1-2H3
InChIKeyOIKJOJTWOGJTJB-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.13
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine (PubChem CID 43270934) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
PubChem CID43270934
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(CN)cc1F
InChIInChI=1S/C12H19FN2/c1-3-6-15(2)9-11-5-4-10(8-14)7-12(11)13/h4-5,7H,3,6,8-9,14H2,1-2H3
InChIKeyOIKJOJTWOGJTJB-UHFFFAOYSA-N
XLogP2.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81059488
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
[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-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
3-fluoro-4-[[methyl(propyl)amino]methyl]benzonitrile
CID 43271253
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-2-ethoxy-N-methylethanamine
CID 81059786
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112657803
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine (CID 43270934) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(CN)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine?
The InChIKey is OIKJOJTWOGJTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-6-15(2)9-11-5-4-10(8-14)7-12(11)13/h4-5,7H,3,6,8-9,14H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 43270934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).