1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine

C14H20FNO — CID 103991560

IUPAC1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2ccc(C)c(F)c2)CCC1
InChIInChI=1S/C14H20FNO/c1-11-4-5-12(8-13(11)15)9-16-10-14(17-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyHFQYBIMXDVNVDU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine

1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine (PubChem CID 103991560) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
PubChem CID103991560
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
SMILESCOC1(CNCc2ccc(C)c(F)c2)CCC1
InChIInChI=1S/C14H20FNO/c1-11-4-5-12(8-13(11)15)9-16-10-14(17-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3
InChIKeyHFQYBIMXDVNVDU-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine (CID 103991560) is 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine is COC1(CNCc2ccc(C)c(F)c2)CCC1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
The InChIKey is HFQYBIMXDVNVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-4-5-12(8-13(11)15)9-16-10-14(17-2)6-3-7-14/h4-5,8,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine?
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine is sourced from PubChem (CID 103991560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).