N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine

C16H22FN — CID 113243151

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C16H22FN/c1-11-6-7-13(8-11)18-14-9-12(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3
InChIKeyQWYZORBHGCNSRP-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.85
Rot. Bonds3

About N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine

N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine (PubChem CID 113243151) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
PubChem CID113243151
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C16H22FN/c1-11-6-7-13(8-11)18-14-9-12(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3
InChIKeyQWYZORBHGCNSRP-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454111
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
CID 43634682
N-[3-(2-methoxyphenyl)cyclobutyl]-3-methylcyclohexan-1-amine
CID 43635319
5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 55246444
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
N-(2-cyclopropylpropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 113384039
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N-(3-ethoxypropyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43633919
1-N-[3-(2-fluorophenyl)cyclobutyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43635820

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine (CID 113243151) is N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine is CC1CCC(NC2CC(c3ccccc3F)C2)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine?
The InChIKey is QWYZORBHGCNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11-6-7-13(8-11)18-14-9-12(10-14)15-4-2-3-5-16(15)17/h2-5,11-14,18H,6-10H2,1H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 113243151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).