3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine

C16H18FNS — CID 78952785

IUPAC3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccsc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNS/c1-11-6-7-19-16(11)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-7,13,15,18H,8-10H2,1H3
InChIKeyHJWZYGZFBBVHGH-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine

3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine (PubChem CID 78952785) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
PubChem CID78952785
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine
SMILESCc1ccsc1CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNS/c1-11-6-7-19-16(11)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-7,13,15,18H,8-10H2,1H3
InChIKeyHJWZYGZFBBVHGH-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 961320
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CID 6485298
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CID 7060565
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CID 4868418
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CID 4721499
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CID 24746854
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CID 1817795
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CID 14548167
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CID 18525825
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CID 43180384
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CID 42773975
CID 42773975

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine (CID 78952785) is 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine is Cc1ccsc1CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is HJWZYGZFBBVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-6-7-19-16(11)10-18-15-8-13(9-15)12-2-4-14(17)5-3-12/h2-7,13,15,18H,8-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine?
3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 78952785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).