N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

C14H21FN2O — CID 54946800

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1cc(CN)ccc1F)C1CC1
InChIInChI=1S/C14H21FN2O/c1-18-7-6-17(13-3-4-13)10-12-8-11(9-16)2-5-14(12)15/h2,5,8,13H,3-4,6-7,9-10,16H2,1H3
InChIKeyBSCWJPGHQOBZNT-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.90
Rot. Bonds7

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 54946800) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID54946800
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1cc(CN)ccc1F)C1CC1
InChIInChI=1S/C14H21FN2O/c1-18-7-6-17(13-3-4-13)10-12-8-11(9-16)2-5-14(12)15/h2,5,8,13H,3-4,6-7,9-10,16H2,1H3
InChIKeyBSCWJPGHQOBZNT-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
3-[[cyclopropyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 63073825
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879268
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 43588490
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
N-[[6-(aminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106906242
[2-[[cyclopropyl(2-methoxyethyl)amino]methyl]phenyl]boronic acid
CID 54970631
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 54946800) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is COCCN(Cc1cc(CN)ccc1F)C1CC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is BSCWJPGHQOBZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-7-6-17(13-3-4-13)10-12-8-11(9-16)2-5-14(12)15/h2,5,8,13H,3-4,6-7,9-10,16H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 252.33 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 54946800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).