(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine

C15H24BrNO — CID 65402562

IUPAC(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(C(N)c2occc2Br)CC1
InChIInChI=1S/C15H24BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h8-11,13H,4-7,17H2,1-3H3
InChIKeyNWXOXAGDWNZYRD-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.89
Rot. Bonds2

About (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine

(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine (PubChem CID 65402562) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
PubChem CID65402562
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(C(N)c2occc2Br)CC1
InChIInChI=1S/C15H24BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h8-11,13H,4-7,17H2,1-3H3
InChIKeyNWXOXAGDWNZYRD-UHFFFAOYSA-N
XLogP4.89
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
CID 130706800
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
(S)-cyclopropyl-(3-fluorofuran-2-yl)methanamine
CID 130674040
1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053885
1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
CID 115861686
(3-bromofuran-2-yl)-(oxolan-2-yl)methanamine
CID 65330811
(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
CID 80621764
1-(3-bromofuran-2-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 115861480
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine (CID 65402562) is (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine is CC(C)(C)C1CCC(C(N)c2occc2Br)CC1.
What is the InChIKey of (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine?
The InChIKey is NWXOXAGDWNZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)14-12(16)8-9-18-14/h8-11,13H,4-7,17H2,1-3H3.
What are the key properties of (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine?
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine has a molecular weight of 314.27 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine is sourced from PubChem (CID 65402562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).