N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine

C14H17ClFN — CID 82805310

IUPACN-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
SMILESFc1c(Cl)cccc1C1(CNC2CC2)CCC1
InChIInChI=1S/C14H17ClFN/c15-12-4-1-3-11(13(12)16)14(7-2-8-14)9-17-10-5-6-10/h1,3-4,10,17H,2,5-9H2
InChIKeyXPBBOWMMCGZXKV-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.65
Rot. Bonds4

About N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine

N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 82805310) has the molecular formula C14H17ClFN and a molecular weight of 253.75 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
PubChem CID82805310
Molecular FormulaC14H17ClFN
Molecular Weight253.75 g/mol
Exact Mass253.10
IUPAC NameN-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine
SMILESFc1c(Cl)cccc1C1(CNC2CC2)CCC1
InChIInChI=1S/C14H17ClFN/c15-12-4-1-3-11(13(12)16)14(7-2-8-14)9-17-10-5-6-10/h1,3-4,10,17H,2,5-9H2
InChIKeyXPBBOWMMCGZXKV-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 82806742
N-[[1-(2-chlorophenyl)cycloheptyl]methyl]cyclopropanamine
CID 63516646
N-[[2-(2,6-dichlorophenyl)spiro[3.4]octan-2-yl]methyl]cyclopropanamine
CID 65003222
N-[[1-(2-bromophenyl)cyclopentyl]methyl]cyclopropanamine
CID 62829692
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008548
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
3-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 122066882
N-[[1-(3-chloro-2-fluorophenyl)-3-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 82805738
N-[[1-(3-chloro-2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-1-amine
CID 82806103
N-[[1-(2-chlorophenyl)-2-methylcyclopentyl]methyl]cyclopropanamine
CID 79678984
N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972372
N-[[4-(2-chlorophenyl)oxan-4-yl]methyl]thian-4-amine
CID 119124486

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine (CID 82805310) is N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine is Fc1c(Cl)cccc1C1(CNC2CC2)CCC1.
What is the InChIKey of N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is XPBBOWMMCGZXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN/c15-12-4-1-3-11(13(12)16)14(7-2-8-14)9-17-10-5-6-10/h1,3-4,10,17H,2,5-9H2.
What are the key properties of N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine?
N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 253.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-fluorophenyl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 82805310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).