1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine

C12H16FN — CID 105447374

IUPAC1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
SMILESCNCC1(c2ccccc2)CC(F)C1
InChIInChI=1S/C12H16FN/c1-14-9-12(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyICDJDXNNXSGKEX-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds3

About 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine

1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine (PubChem CID 105447374) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
PubChem CID105447374
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
SMILESCNCC1(c2ccccc2)CC(F)C1
InChIInChI=1S/C12H16FN/c1-14-9-12(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3
InChIKeyICDJDXNNXSGKEX-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105464919
N-methyl-1-[1-(4-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014336
N-methyl-1-[1-(3-methylphenyl)-3-phenylcyclobutyl]methanamine
CID 65014530
1-[3-ethyl-1-(2-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64997896
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
1-(3-ethenyl-4-ethyl-1-phenylcyclopent-3-en-1-yl)-N-methylmethanamine
CID 143143751
N-methyl-1-[3-propyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 65014048
N-[(3-tert-butyl-1-phenylcyclobutyl)methyl]cyclopropanamine
CID 65014569
1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine
CID 65013757
1-[3-ethyl-1-(4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 64997584
N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
CID 80522419
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine (CID 105447374) is 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine is CNCC1(c2ccccc2)CC(F)C1.
What is the InChIKey of 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine?
The InChIKey is ICDJDXNNXSGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-14-9-12(7-11(13)8-12)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3.
What are the key properties of 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine?
1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine has a molecular weight of 193.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 105447374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).