1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C14H21FN2 — CID 116958754

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(CN)CCC1
InChIInChI=1S/C14H21FN2/c1-10-8-11(4-5-12(10)15)13(17-2)14(9-16)6-3-7-14/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3
InChIKeyMBWQARKPSPRYJN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.52
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 116958754) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID116958754
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)C1(CN)CCC1
InChIInChI=1S/C14H21FN2/c1-10-8-11(4-5-12(10)15)13(17-2)14(9-16)6-3-7-14/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3
InChIKeyMBWQARKPSPRYJN-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine 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-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(4-fluoro-3-methylphenyl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 104611026
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116958371
[1-[(3-chloro-4-fluorophenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959052
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(4-fluoro-3-methylphenyl)methanol
CID 79138278
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268
1-(4-fluoro-3-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 116958754) is 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is MBWQARKPSPRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-8-11(4-5-12(10)15)13(17-2)14(9-16)6-3-7-14/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116958754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).