N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine

C15H22FN — CID 104859634

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyNVPQGAUIDXKODV-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine (PubChem CID 104859634) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
PubChem CID104859634
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(c2ccc(F)cc2)C(C)C)C1
InChIInChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3
InChIKeyNVPQGAUIDXKODV-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine 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

N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
CID 79941806
N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43685485
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1H-inden-2-amine
CID 43685519
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[1-(4-fluorophenyl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43078690
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
CID 80559993
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine (CID 104859634) is N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine is CC1CC(NC(c2ccc(F)cc2)C(C)C)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
The InChIKey is NVPQGAUIDXKODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-10(2)15(17-14-8-11(3)9-14)12-4-6-13(16)7-5-12/h4-7,10-11,14-15,17H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine?
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 104859634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).