(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine

C15H16BrNO — CID 105053761

IUPAC(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO/c16-14-8-7-13(18-14)15(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,15H,1,3-4,17H2
InChIKeyOPZTYYPIIRHITJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.36
Rot. Bonds3

About (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine

(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine (PubChem CID 105053761) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
PubChem CID105053761
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
SMILESNC(c1cccc(C2CCC2)c1)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO/c16-14-8-7-13(18-14)15(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,15H,1,3-4,17H2
InChIKeyOPZTYYPIIRHITJ-UHFFFAOYSA-N
XLogP4.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(3-cyclobutylphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105053621
(3-cyclobutylphenyl)-pyrimidin-5-ylmethanamine
CID 102923950
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-thiophen-3-ylmethanamine
CID 114602570
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(3-cyclobutylphenyl)-(oxan-4-yl)methanamine
CID 114603376
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(3-cyclobutylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 114603326

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine (CID 105053761) is (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine is NC(c1cccc(C2CCC2)c1)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine?
The InChIKey is OPZTYYPIIRHITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-14-8-7-13(18-14)15(17)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-10,15H,1,3-4,17H2.
What are the key properties of (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine?
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine has a molecular weight of 306.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105053761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).