N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine

C15H23FN2 — CID 115245973

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCN(CCc1cccc(F)c1)CC1(CN)CCC1
InChIInChI=1S/C15H23FN2/c1-18(12-15(11-17)7-3-8-15)9-6-13-4-2-5-14(16)10-13/h2,4-5,10H,3,6-9,11-12,17H2,1H3
InChIKeyXNCPUWPOKJFNLC-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.43
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine (PubChem CID 115245973) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
PubChem CID115245973
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
SMILESCN(CCc1cccc(F)c1)CC1(CN)CCC1
InChIInChI=1S/C15H23FN2/c1-18(12-15(11-17)7-3-8-15)9-6-13-4-2-5-14(16)10-13/h2,4-5,10H,3,6-9,11-12,17H2,1H3
InChIKeyXNCPUWPOKJFNLC-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 113311854
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115244371

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine (CID 115245973) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine is CN(CCc1cccc(F)c1)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is XNCPUWPOKJFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(12-15(11-17)7-3-8-15)9-6-13-4-2-5-14(16)10-13/h2,4-5,10H,3,6-9,11-12,17H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).