N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine

C18H19ClFN — CID 43634212

IUPACN-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFN/c1-12(13-4-2-6-16(19)8-13)21-18-10-15(11-18)14-5-3-7-17(20)9-14/h2-9,12,15,18,21H,10-11H2,1H3
InChIKeyWBLXSRDRMQBWSA-UHFFFAOYSA-N
MW303.81 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine

N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine (PubChem CID 43634212) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
PubChem CID43634212
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2cccc(F)c2)C1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClFN/c1-12(13-4-2-6-16(19)8-13)21-18-10-15(11-18)14-5-3-7-17(20)9-14/h2-9,12,15,18,21H,10-11H2,1H3
InChIKeyWBLXSRDRMQBWSA-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81367093
3-(4-fluorophenyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81369914
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-[1-(furan-2-yl)ethyl]cyclobutan-1-amine
CID 43635526
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
3-(2-bromophenyl)-N-[1-(3-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634220
3-(3-fluorophenyl)-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 43634187
cis-(1S,3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(6-fluoro-3-pyridinyl)cyclopentan-1-amine
CID 86698384
3-(3-fluorophenyl)-N-(1-phenylpropyl)cyclobutan-1-amine
CID 62304356
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine (CID 43634212) is N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine is CC(NC1CC(c2cccc(F)c2)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The InChIKey is WBLXSRDRMQBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c1-12(13-4-2-6-16(19)8-13)21-18-10-15(11-18)14-5-3-7-17(20)9-14/h2-9,12,15,18,21H,10-11H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine has a molecular weight of 303.81 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).