N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine

C19H28FN — CID 63454111

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC(c3ccccc3F)C2)CC1
InChIInChI=1S/C19H28FN/c1-2-5-14-8-10-16(11-9-14)21-17-12-15(13-17)18-6-3-4-7-19(18)20/h3-4,6-7,14-17,21H,2,5,8-13H2,1H3
InChIKeySUDMPOSPFLVOED-UHFFFAOYSA-N
MW289.44 g/mol
LogP5.02
Rot. Bonds5

About N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine

N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine (PubChem CID 63454111) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
PubChem CID63454111
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC2CC(c3ccccc3F)C2)CC1
InChIInChI=1S/C19H28FN/c1-2-5-14-8-10-16(11-9-14)21-17-12-15(13-17)18-6-3-4-7-19(18)20/h3-4,6-7,14-17,21H,2,5,8-13H2,1H3
InChIKeySUDMPOSPFLVOED-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 113243151
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
N-[3-(4-bromophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454286
N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
CID 43634682
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
N-(4-propylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 43081045
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2-methylbutan-2-ol
CID 65107731
1-[2-(2-fluorophenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029449
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine (CID 63454111) is N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC2CC(c3ccccc3F)C2)CC1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
The InChIKey is SUDMPOSPFLVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c1-2-5-14-8-10-16(11-9-14)21-17-12-15(13-17)18-6-3-4-7-19(18)20/h3-4,6-7,14-17,21H,2,5,8-13H2,1H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 5.02, 5 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]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63454111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).