N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine

C19H25NO — CID 43634568

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NC(C)CCc3ccco3)C2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-8-16(9-6-14)17-12-18(13-17)20-15(2)7-10-19-4-3-11-21-19/h3-6,8-9,11,15,17-18,20H,7,10,12-13H2,1-2H3
InChIKeyADZHHJNCRFFXBI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.44
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine

N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43634568) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43634568
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NC(C)CCc3ccco3)C2)cc1
InChIInChI=1S/C19H25NO/c1-14-5-8-16(9-6-14)17-12-18(13-17)20-15(2)7-10-19-4-3-11-21-19/h3-6,8-9,11,15,17-18,20H,7,10,12-13H2,1-2H3
InChIKeyADZHHJNCRFFXBI-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine (CID 43634568) is N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NC(C)CCc3ccco3)C2)cc1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is ADZHHJNCRFFXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-5-8-16(9-6-14)17-12-18(13-17)20-15(2)7-10-19-4-3-11-21-19/h3-6,8-9,11,15,17-18,20H,7,10,12-13H2,1-2H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine?
N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43634568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).