1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine

C13H18FNO — CID 81018324

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO/c1-15-8-10-3-5-11(10)9-4-6-13(16-2)12(14)7-9/h4,6-7,10-11,15H,3,5,8H2,1-2H3
InChIKeyVHZUOUICXCCSPB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine

1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine (PubChem CID 81018324) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
PubChem CID81018324
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO/c1-15-8-10-3-5-11(10)9-4-6-13(16-2)12(14)7-9/h4,6-7,10-11,15H,3,5,8H2,1-2H3
InChIKeyVHZUOUICXCCSPB-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874
3-(3-fluoro-4-methoxyphenyl)-N,2-dimethylcyclopentan-1-amine
CID 64909846
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
1-[2-(4-chlorophenyl)cyclobutyl]-N-methylmethanamine
CID 81017888
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022910
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine (CID 81018324) is 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine is CNCC1CCC1c1ccc(OC)c(F)c1.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
The InChIKey is VHZUOUICXCCSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-8-10-3-5-11(10)9-4-6-13(16-2)12(14)7-9/h4,6-7,10-11,15H,3,5,8H2,1-2H3.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine?
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81018324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).